CID 83695119

2-methyl-1-(propan-2-yl)-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC1=C(C=CN1C(C)C)C(=O)O
InChI
InChI=1S/C9H13NO2/c1-6(2)10-5-4-8(7(10)3)9(11)12/h4-6H,1-3H3,(H,11,12)
InChIKey
ZDPWRSPHMABPFD-UHFFFAOYSA-N
Compound name
2-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

167.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.5
[M+Na]+ 190.08386 144.0
[M-H]- 166.08736 137.1
[M+NH4]+ 185.12846 156.3
[M+K]+ 206.05780 142.7
[M+H-H2O]+ 150.09190 130.1
[M+HCOO]- 212.09284 156.7
[M+CH3COO]- 226.10849 178.6
[M+Na-2H]- 188.06931 137.1
[M]+ 167.09409 136.4
[M]- 167.09519 136.4
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

patents stripe