CID 155822937

2567503-33-5

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C=CC(=O)N1CCC(CC1)N2C=C(N=N2)C(=O)O
InChI
InChI=1S/C11H14N4O3/c1-2-10(16)14-5-3-8(4-6-14)15-7-9(11(17)18)12-13-15/h2,7-8H,1,3-6H2,(H,17,18)
InChIKey
WHFLZAJNHNWYPC-UHFFFAOYSA-N
Compound name
1-(1-prop-2-enoylpiperidin-4-yl)triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.1066 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.113876 157.1
[M+Na]+ 273.095818 163.3
[M-H]- 249.099324 156.8
[M+NH4]+ 268.140423 169.3
[M+K]+ 289.069758 160.4
[M+H-H2O]+ 233.103860 147.8
[M+HCOO]- 295.104801 171.2
[M+CH3COO]- 309.120451 189.8
[M+Na-2H]- 271.081266 156.8
[M]+ 250.10605142 153.4
[M]- 250.10714858 153.4
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.