CID 82417382

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

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC1C2=C(C=CN2)C(=O)O
InChI
InChI=1S/C8H9NO2/c10-8(11)6-3-4-9-7(6)5-1-2-5/h3-5,9H,1-2H2,(H,10,11)
InChIKey
XVRQMDZZTUWKKR-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1H-pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 129.4
[M+Na]+ 174.052538 139.1
[M-H]- 150.056044 133.4
[M+NH4]+ 169.097143 144.7
[M+K]+ 190.026478 135.0
[M+H-H2O]+ 134.060580 123.4
[M+HCOO]- 196.061521 150.7
[M+CH3COO]- 210.077171 173.3
[M+Na-2H]- 172.037986 133.5
[M]+ 151.06277142 129.6
[M]- 151.06386858 129.6
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.