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]+ 211.15534 149.2
[M+Na]+ 233.13728 156.2
[M-H]- 209.14078 150.0
[M+NH4]+ 228.18188 164.6
[M+K]+ 249.11122 152.2
[M+H-H2O]+ 193.14532 140.6
[M+HCOO]- 255.14626 166.6
[M+CH3COO]- 269.16191 185.7
[M+Na-2H]- 231.12273 150.4
[M]+ 210.14751 143.3
[M]- 210.14861 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.