CID 7131914

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

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CC=C(N1C)C(=O)O
InChI
InChI=1S/C7H9NO2/c1-5-3-4-6(7(9)10)8(5)2/h3-4H,1-2H3,(H,9,10)
InChIKey
NDJXNNQYGYBVNQ-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

139.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.1
[M+Na]+ 162.052538 135.7
[M-H]- 138.056044 127.9
[M+NH4]+ 157.097143 148.0
[M+K]+ 178.026478 134.4
[M+H-H2O]+ 122.060580 120.9
[M+HCOO]- 184.061521 148.9
[M+CH3COO]- 198.077171 171.6
[M+Na-2H]- 160.037986 130.0
[M]+ 139.06277142 126.9
[M]- 139.06386858 126.9
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