CID 10154054

1-methyl-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C6H7NO2
SMILES
CN1C=CC(=C1)C(=O)O
InChI
InChI=1S/C6H7NO2/c1-7-3-2-5(4-7)6(8)9/h2-4H,1H3,(H,8,9)
InChIKey
OONDRKVHFCQDCG-UHFFFAOYSA-N
Compound name
1-methylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

382
Patents

125.047676 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 123.6
[M+Na]+ 148.03689 134.4
[M+NH4]+ 143.08150 131.2
[M+K]+ 164.01083 131.8
[M-H]- 124.04040 123.3
[M+Na-2H]- 146.02234 128.4
[M]+ 125.04713 124.7
[M]- 125.04822 124.7
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

patents stripe