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

3
Patents

127.06333 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 125.3
[M+Na]+ 150.052548 132.9
[M-H]- 126.056054 125.0
[M+NH4]+ 145.097153 146.5
[M+K]+ 166.026488 131.2
[M+H-H2O]+ 110.060590 120.1
[M+HCOO]- 172.061531 145.4
[M+CH3COO]- 186.077181 165.2
[M+Na-2H]- 148.037996 128.8
[M]+ 127.06278142 121.9
[M]- 127.06387858 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