CID 132314030

2137704-32-4

Structural Information

Molecular Formula
C10H18N4O
SMILES
CN1C(=NNC1=O)C[C@@H]2CCCC[C@@H]2N
InChI
InChI=1S/C10H18N4O/c1-14-9(12-13-10(14)15)6-7-4-2-3-5-8(7)11/h7-8H,2-6,11H2,1H3,(H,13,15)/t7-,8-/m0/s1
InChIKey
KBIPXRKUZZOFHD-YUMQZZPRSA-N
Compound name
3-[[(1S,2S)-2-aminocyclohexyl]methyl]-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.14806 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.155336 149.2
[M+Na]+ 233.137278 156.2
[M-H]- 209.140784 150.0
[M+NH4]+ 228.181883 164.6
[M+K]+ 249.111218 152.2
[M+H-H2O]+ 193.145320 140.6
[M+HCOO]- 255.146261 166.6
[M+CH3COO]- 269.161911 185.7
[M+Na-2H]- 231.122726 150.4
[M]+ 210.14751142 143.3
[M]- 210.14860858 143.3
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.