CID 66545226

Methyl (1s,3r)-3-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylate

Structural Information

Molecular Formula
C15H19NO4
SMILES
COC(=O)[C@H]1CC[C@H](C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H19NO4/c1-19-14(17)12-7-8-13(9-12)16-15(18)20-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKey
VDOLNJIOWMVCGN-QWHCGFSZSA-N
Compound name
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 164.4
[M+Na]+ 300.120618 168.3
[M-H]- 276.124124 170.4
[M+NH4]+ 295.165223 181.4
[M+K]+ 316.094558 166.8
[M+H-H2O]+ 260.128660 157.0
[M+HCOO]- 322.129601 186.6
[M+CH3COO]- 336.145251 198.0
[M+Na-2H]- 298.106066 165.0
[M]+ 277.13085142 164.2
[M]- 277.13194858 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.