CID 82280163

933714-65-9

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(C1=CN(C=C1)C)C(=O)O
InChI
InChI=1S/C8H11NO2/c1-6(8(10)11)7-3-4-9(2)5-7/h3-6H,1-2H3,(H,10,11)
InChIKey
SLTHRCFUFHAAPU-UHFFFAOYSA-N
Compound name
2-(1-methylpyrrol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 131.8
[M+Na]+ 176.068198 139.8
[M-H]- 152.071704 133.1
[M+NH4]+ 171.112803 152.8
[M+K]+ 192.042138 138.7
[M+H-H2O]+ 136.076240 126.2
[M+HCOO]- 198.077181 153.3
[M+CH3COO]- 212.092831 174.4
[M+Na-2H]- 174.053646 134.6
[M]+ 153.07843142 131.9
[M]- 153.07952858 131.9
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.