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]+ 264.12303 159.8
[M+Na]+ 286.10497 165.5
[M-H]- 262.10847 163.7
[M+NH4]+ 281.14957 175.9
[M+K]+ 302.07891 163.3
[M+H-H2O]+ 246.11301 152.6
[M+HCOO]- 308.11395 178.5
[M+CH3COO]- 322.12960 192.0
[M+Na-2H]- 284.09042 159.3
[M]+ 263.11520 159.2
[M]- 263.11630 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.