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]+ 225.170986 154.5
[M+Na]+ 247.152928 160.1
[M-H]- 223.156434 155.1
[M+NH4]+ 242.197533 169.2
[M+K]+ 263.126868 157.1
[M+H-H2O]+ 207.160970 146.1
[M+HCOO]- 269.161911 169.8
[M+CH3COO]- 283.177561 188.6
[M+Na-2H]- 245.138376 156.8
[M]+ 224.16316142 148.7
[M]- 224.16425858 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.