CID 5287781

4-methyl-2-pyrroline-5-carboxylic acid

Structural Information

Molecular Formula
C6H9NO2
SMILES
C[C@@H]1C=CN[C@H]1C(=O)O
InChI
InChI=1S/C6H9NO2/c1-4-2-3-7-5(4)6(8)9/h2-5,7H,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
ZVJPMCWYCLEWPG-RFZPGFLSSA-N
Compound name
(2R,3R)-3-methyl-2,3-dihydro-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.06333 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.3
[M+Na]+ 150.05255 132.9
[M-H]- 126.05605 125.0
[M+NH4]+ 145.09715 146.5
[M+K]+ 166.02649 131.2
[M+H-H2O]+ 110.06059 120.1
[M+HCOO]- 172.06153 145.4
[M+CH3COO]- 186.07718 165.2
[M+Na-2H]- 148.03800 128.8
[M]+ 127.06278 121.9
[M]- 127.06388 121.9
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

patents stripe