CID 9860390

(2s,4s)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H11NO3
SMILES
CN1C[C@H](C[C@H]1C(=O)O)O
InChI
InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKey
FMIPNAUMSPFTHK-WHFBIAKZSA-N
Compound name
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

392
Patents

145.0739 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 129.4
[M+Na]+ 168.063118 136.8
[M-H]- 144.066624 129.2
[M+NH4]+ 163.107723 150.1
[M+K]+ 184.037058 135.8
[M+H-H2O]+ 128.071160 124.4
[M+HCOO]- 190.072101 148.3
[M+CH3COO]- 204.087751 168.9
[M+Na-2H]- 166.048566 131.3
[M]+ 145.07335142 126.5
[M]- 145.07444858 126.5
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