CID 93077842

Trans-1-[(benzyloxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C14H17NO4
SMILES
C[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c1-10-7-15(8-12(10)13(16)17)14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)/t10-,12-/m0/s1
InChIKey
BBGSNKXBKDVHPM-JQWIXIFHSA-N
Compound name
(3R,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 159.8
[M+Na]+ 286.104968 165.5
[M-H]- 262.108474 163.7
[M+NH4]+ 281.149573 175.9
[M+K]+ 302.078908 163.3
[M+H-H2O]+ 246.113010 152.6
[M+HCOO]- 308.113951 178.5
[M+CH3COO]- 322.129601 192.0
[M+Na-2H]- 284.090416 159.3
[M]+ 263.11520142 159.2
[M]- 263.11629858 159.2
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.