CID 61017196

2-(4-propiolamido-1h-pyrazol-1-yl)acetic acid

Structural Information

Molecular Formula
C8H7N3O3
SMILES
C#CC(=O)NC1=CN(N=C1)CC(=O)O
InChI
InChI=1S/C8H7N3O3/c1-2-7(12)10-6-3-9-11(4-6)5-8(13)14/h1,3-4H,5H2,(H,10,12)(H,13,14)
InChIKey
UBYSFEQWEPLEFK-UHFFFAOYSA-N
Compound name
2-[4-(prop-2-ynoylamino)pyrazol-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 140.8
[M+Na]+ 216.03796 149.7
[M-H]- 192.04146 138.8
[M+NH4]+ 211.08256 155.6
[M+K]+ 232.01190 147.4
[M+H-H2O]+ 176.04600 126.9
[M+HCOO]- 238.04694 156.3
[M+CH3COO]- 252.06259 189.1
[M+Na-2H]- 214.02341 142.7
[M]+ 193.04819 134.7
[M]- 193.04929 134.7
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.