CID 155822103

2503203-64-1

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]+ 152.05803 129.3
[M+Na]+ 174.03997 141.9
[M+NH4]+ 169.08457 136.6
[M+K]+ 190.01391 139.7
[M-H]- 150.04347 129.4
[M+Na-2H]- 172.02542 134.3
[M]+ 151.05020 131.0
[M]- 151.05130 131.0
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.