CID 192582

1-hntz

Structural Information

Molecular Formula
C11H21N3O
SMILES
CCCCCC[C@@H]([C@@H](C)O)N1C=NC=N1
InChI
InChI=1S/C11H21N3O/c1-3-4-5-6-7-11(10(2)15)14-9-12-8-13-14/h8-11,15H,3-7H2,1-2H3/t10-,11+/m1/s1
InChIKey
BKFJOEDXXGZDOD-MNOVXSKESA-N
Compound name
(2R,3S)-3-(1,2,4-triazol-1-yl)nonan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

211.16846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.17574 152.6
[M+Na]+ 234.15768 158.1
[M-H]- 210.16118 150.1
[M+NH4]+ 229.20228 168.2
[M+K]+ 250.13162 156.2
[M+H-H2O]+ 194.16572 144.1
[M+HCOO]- 256.16666 170.0
[M+CH3COO]- 270.18231 186.7
[M+Na-2H]- 232.14313 154.3
[M]+ 211.16791 153.7
[M]- 211.16901 153.7
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.