CID 91819835

3-methyl-pyrroline-5-carboxylate

Structural Information

Molecular Formula
C6H9NO2
SMILES
C[C@@H]1C[C@H](N=C1)C(=O)O
InChI
InChI=1S/C6H9NO2/c1-4-2-5(6(8)9)7-3-4/h3-5H,2H2,1H3,(H,8,9)/t4-,5+/m1/s1
InChIKey
GSYWFASSLUGNSS-UHNVWZDZSA-N
Compound name
(2S,4R)-4-methyl-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

127.06333 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.3
[M+Na]+ 150.05255 135.2
[M+NH4]+ 145.09715 132.9
[M+K]+ 166.02649 132.8
[M-H]- 126.05605 124.8
[M+Na-2H]- 148.03800 129.2
[M]+ 127.06278 126.2
[M]- 127.06388 126.2
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.