CID 136313274

2155852-96-1

Structural Information

Molecular Formula
C10H18N4O
SMILES
CC(C)C1=NN(C(=O)N1)C2CCNCC2
InChI
InChI=1S/C10H18N4O/c1-7(2)9-12-10(15)14(13-9)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3,(H,12,13,15)
InChIKey
PHGCLLXPEBPSET-UHFFFAOYSA-N
Compound name
2-piperidin-4-yl-5-propan-2-yl-4H-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.155336 150.8
[M+Na]+ 233.137278 157.0
[M-H]- 209.140784 149.1
[M+NH4]+ 228.181883 164.3
[M+K]+ 249.111218 152.9
[M+H-H2O]+ 193.145320 141.7
[M+HCOO]- 255.146261 163.9
[M+CH3COO]- 269.161911 181.5
[M+Na-2H]- 231.122726 151.3
[M]+ 210.14751142 144.2
[M]- 210.14860858 144.2
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.