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
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]+ 278.13868 164.4
[M+Na]+ 300.12062 168.3
[M-H]- 276.12412 170.4
[M+NH4]+ 295.16522 181.4
[M+K]+ 316.09456 166.8
[M+H-H2O]+ 260.12866 157.0
[M+HCOO]- 322.12960 186.6
[M+CH3COO]- 336.14525 198.0
[M+Na-2H]- 298.10607 165.0
[M]+ 277.13085 164.2
[M]- 277.13195 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.