CID 15442598

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

Structural Information

Molecular Formula
C7H9NO2
SMILES
CCN1C=CC=C1C(=O)O
InChI
InChI=1S/C7H9NO2/c1-2-8-5-3-4-6(8)7(9)10/h3-5H,2H2,1H3,(H,9,10)
InChIKey
XCOJUFQICAEQEP-UHFFFAOYSA-N
Compound name
1-ethylpyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

139.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.9
[M+Na]+ 162.052538 135.6
[M-H]- 138.056044 128.3
[M+NH4]+ 157.097143 148.5
[M+K]+ 178.026478 134.3
[M+H-H2O]+ 122.060580 121.4
[M+HCOO]- 184.061521 149.7
[M+CH3COO]- 198.077171 170.4
[M+Na-2H]- 160.037986 131.4
[M]+ 139.06277142 127.3
[M]- 139.06386858 127.3
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