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]+ 211.15534 150.8
[M+Na]+ 233.13728 157.0
[M-H]- 209.14078 149.1
[M+NH4]+ 228.18188 164.3
[M+K]+ 249.11122 152.9
[M+H-H2O]+ 193.14532 141.7
[M+HCOO]- 255.14626 163.9
[M+CH3COO]- 269.16191 181.5
[M+Na-2H]- 231.12273 151.3
[M]+ 210.14751 144.2
[M]- 210.14861 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.