CID 82414690

1-cyclopropyl-3-methyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=C(N(C=C1)C2CC2)C(=O)O
InChI
InChI=1S/C9H11NO2/c1-6-4-5-10(7-2-3-7)8(6)9(11)12/h4-5,7H,2-3H2,1H3,(H,11,12)
InChIKey
LIFVNWPYPORCRJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-methylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 136.9
[M+Na]+ 188.06820 149.3
[M+NH4]+ 183.11280 145.2
[M+K]+ 204.04214 147.5
[M-H]- 164.07170 145.0
[M+Na-2H]- 186.05365 144.5
[M]+ 165.07843 141.9
[M]- 165.07953 141.9
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.