CID 102537632

1330751-63-7

Structural Information

Molecular Formula
C9H13NO2
SMILES
CC1=CN(C=C1C(=O)O)C(C)C
InChI
InChI=1S/C9H13NO2/c1-6(2)10-4-7(3)8(5-10)9(11)12/h4-6H,1-3H3,(H,11,12)
InChIKey
RKETYQLYWCLNMU-UHFFFAOYSA-N
Compound name
4-methyl-1-propan-2-ylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.7
[M+Na]+ 190.08386 146.9
[M+NH4]+ 185.12846 143.7
[M+K]+ 206.05780 144.7
[M-H]- 166.08736 136.1
[M+Na-2H]- 188.06931 140.2
[M]+ 167.09409 137.7
[M]- 167.09519 137.7
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.