CID 12849451

75176-09-9

Structural Information

Molecular Formula
C6H11NO3
SMILES
CO[C@@H]1C[C@H](NC1)C(=O)O
InChI
InChI=1S/C6H11NO3/c1-10-4-2-5(6(8)9)7-3-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKey
RNXKXUOGQKYKTH-UHNVWZDZSA-N
Compound name
(2S,4R)-4-methoxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

212
Patents

145.0739 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 130.1
[M+Na]+ 168.06312 136.5
[M-H]- 144.06662 129.4
[M+NH4]+ 163.10772 150.3
[M+K]+ 184.03706 135.5
[M+H-H2O]+ 128.07116 124.7
[M+HCOO]- 190.07210 148.9
[M+CH3COO]- 204.08775 167.7
[M+Na-2H]- 166.04857 132.6
[M]+ 145.07335 126.7
[M]- 145.07445 126.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe