CID 50987961

4-chloro-1-ethyl-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C7H8ClNO2
SMILES
CCN1C=C(C=C1C(=O)O)Cl
InChI
InChI=1S/C7H8ClNO2/c1-2-9-4-5(8)3-6(9)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChIKey
QOQIVKRHJNMVAZ-UHFFFAOYSA-N
Compound name
4-chloro-1-ethylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.02435 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03163 132.4
[M+Na]+ 196.01357 142.8
[M-H]- 172.01707 134.0
[M+NH4]+ 191.05817 153.8
[M+K]+ 211.98751 139.4
[M+H-H2O]+ 156.02161 127.8
[M+HCOO]- 218.02255 150.6
[M+CH3COO]- 232.03820 175.5
[M+Na-2H]- 193.99902 135.8
[M]+ 173.02380 135.0
[M]- 173.02490 135.0
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.