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]+ 166.086256 134.0
[M+Na]+ 188.068198 144.6
[M-H]- 164.071704 139.6
[M+NH4]+ 183.112803 149.9
[M+K]+ 204.042138 141.1
[M+H-H2O]+ 148.076240 127.9
[M+HCOO]- 210.077181 156.4
[M+CH3COO]- 224.092831 179.7
[M+Na-2H]- 186.053646 137.3
[M]+ 165.07843142 136.7
[M]- 165.07952858 136.7
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.