CID 2776579

1-cyclopropyl-2,5-dimethyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC1=CC(=C(N1C2CC2)C)C(=O)O
InChI
InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)
InChIKey
VOOZJPFNBFNPEK-UHFFFAOYSA-N
Compound name
1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

34
Patents

179.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.7
[M+Na]+ 202.08386 148.7
[M-H]- 178.08736 143.4
[M+NH4]+ 197.12846 153.3
[M+K]+ 218.05780 144.8
[M+H-H2O]+ 162.09190 131.7
[M+HCOO]- 224.09284 159.7
[M+CH3COO]- 238.10849 183.7
[M+Na-2H]- 200.06931 139.8
[M]+ 179.09409 141.1
[M]- 179.09519 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe