CID 43477039

1-cyclopropyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1CC1N2C=CC=C2C(=O)O
InChI
InChI=1S/C8H9NO2/c10-8(11)7-2-1-5-9(7)6-3-4-6/h1-2,5-6H,3-4H2,(H,10,11)
InChIKey
VDFAGHFIPYSSIU-UHFFFAOYSA-N
Compound name
1-cyclopropylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 130.3
[M+Na]+ 174.05254 140.4
[M-H]- 150.05604 135.6
[M+NH4]+ 169.09714 146.3
[M+K]+ 190.02648 137.2
[M+H-H2O]+ 134.06058 124.0
[M+HCOO]- 196.06152 153.0
[M+CH3COO]- 210.07717 175.7
[M+Na-2H]- 172.03799 134.7
[M]+ 151.06277 132.2
[M]- 151.06387 132.2
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