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 129.6
[M+Na]+ 174.03997 138.9
[M-H]- 150.04347 130.0
[M+NH4]+ 169.08457 149.0
[M+K]+ 190.01391 131.0
[M+H-H2O]+ 134.04801 126.1
[M+HCOO]- 196.04895 151.3
[M+CH3COO]- 210.06460 163.5
[M+Na-2H]- 172.02542 136.6
[M]+ 151.05020 127.7
[M]- 151.05130 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.