CID 10558635

2470436-97-4

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC1(C=CCN1)C(=O)O
InChI
InChI=1S/C6H9NO2/c1-6(5(8)9)3-2-4-7-6/h2-3,7H,4H2,1H3,(H,8,9)
InChIKey
ITUYWCBWTDFCFC-UHFFFAOYSA-N
Compound name
5-methyl-1,2-dihydropyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.070606 125.2
[M+Na]+ 150.052548 132.8
[M-H]- 126.056054 125.0
[M+NH4]+ 145.097153 148.2
[M+K]+ 166.026488 131.3
[M+H-H2O]+ 110.060590 120.7
[M+HCOO]- 172.061531 145.4
[M+CH3COO]- 186.077181 163.6
[M+Na-2H]- 148.037996 130.6
[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

No patent data available for this compound.