CID 165441590

(2e)-2-[(1h-pyrazol-4-yl)methylidene]butanoic acid hydrochloride

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC/C(=C\C1=CNN=C1)/C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-2-7(8(11)12)3-6-4-9-10-5-6/h3-5H,2H2,1H3,(H,9,10)(H,11,12)/b7-3+
InChIKey
DVOYZUADUOMUKO-XVNBXDOJSA-N
Compound name
(2E)-2-(1H-pyrazol-4-ylmethylidene)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 136.6
[M+Na]+ 189.06345 143.5
[M-H]- 165.06695 134.8
[M+NH4]+ 184.10805 154.6
[M+K]+ 205.03739 140.9
[M+H-H2O]+ 149.07149 129.9
[M+HCOO]- 211.07243 155.4
[M+CH3COO]- 225.08808 171.8
[M+Na-2H]- 187.04890 139.4
[M]+ 166.07368 134.1
[M]- 166.07478 134.1
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.