CID 91654336

2-{1-[(1r,2s)-2-aminocyclohexyl]-1h-1,2,3-triazol-4-yl}propan-2-ol

Structural Information

Molecular Formula
C11H20N4O
SMILES
CC(C)(C1=CN(N=N1)[C@@H]2CCCC[C@@H]2N)O
InChI
InChI=1S/C11H20N4O/c1-11(2,16)10-7-15(14-13-10)9-6-4-3-5-8(9)12/h7-9,16H,3-6,12H2,1-2H3/t8-,9+/m0/s1
InChIKey
HKBLQTVOWXHXQK-DTWKUNHWSA-N
Compound name
2-[1-[(1R,2S)-2-aminocyclohexyl]triazol-4-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.16371 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.17099 154.5
[M+Na]+ 247.15293 160.1
[M-H]- 223.15643 155.1
[M+NH4]+ 242.19753 169.2
[M+K]+ 263.12687 157.1
[M+H-H2O]+ 207.16097 146.1
[M+HCOO]- 269.16191 169.8
[M+CH3COO]- 283.17756 188.6
[M+Na-2H]- 245.13838 156.8
[M]+ 224.16316 148.7
[M]- 224.16426 148.7
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.