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

0
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

literature stripe

Patent stripe

patents stripe