CID 10866539

3,4,5-trimethyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC1=C(NC(=C1C)C(=O)O)C
InChI
InChI=1S/C8H11NO2/c1-4-5(2)7(8(10)11)9-6(4)3/h9H,1-3H3,(H,10,11)
InChIKey
MSCHSIGGQKWJIB-UHFFFAOYSA-N
Compound name
3,4,5-trimethyl-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

153.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 131.0
[M+Na]+ 176.06820 140.7
[M-H]- 152.07170 131.6
[M+NH4]+ 171.11280 151.9
[M+K]+ 192.04214 138.2
[M+H-H2O]+ 136.07624 126.2
[M+HCOO]- 198.07718 151.9
[M+CH3COO]- 212.09283 173.3
[M+Na-2H]- 174.05365 133.2
[M]+ 153.07843 130.7
[M]- 153.07953 130.7
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.