CID 155822103

Refchem:428406

Structural Information

Molecular Formula
C7H7N2O2
SMILES
C=C/C=[N+]/1\C=CC(=N1)C(=O)O
InChI
InChI=1S/C7H6N2O2/c1-2-4-9-5-3-6(8-9)7(10)11/h2-5H,1H2/p+1/b9-4+
InChIKey
DRMHDISRTXYXDA-RUDMXATFSA-O
Compound name
(1E)-1-prop-2-enylidenepyrazol-1-ium-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.05075 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.058026 129.6
[M+Na]+ 174.039968 138.9
[M-H]- 150.043474 130.0
[M+NH4]+ 169.084573 149.0
[M+K]+ 190.013908 131.0
[M+H-H2O]+ 134.048010 126.1
[M+HCOO]- 196.048951 151.3
[M+CH3COO]- 210.064601 163.5
[M+Na-2H]- 172.025416 136.6
[M]+ 151.05020142 127.7
[M]- 151.05129858 127.7
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

No patent data available for this compound.