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]+ 251.11388 157.1
[M+Na]+ 273.09582 163.3
[M-H]- 249.09932 156.8
[M+NH4]+ 268.14042 169.3
[M+K]+ 289.06976 160.4
[M+H-H2O]+ 233.10386 147.8
[M+HCOO]- 295.10480 171.2
[M+CH3COO]- 309.12045 189.8
[M+Na-2H]- 271.08127 156.8
[M]+ 250.10605 153.4
[M]- 250.10715 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.