CID 13624273

111340-39-7

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC(C)N1C(=NC=N1)CO
InChI
InChI=1S/C6H11N3O/c1-5(2)9-6(3-10)7-4-8-9/h4-5,10H,3H2,1-2H3
InChIKey
XIAOMTCYUPNRKB-UHFFFAOYSA-N
Compound name
(2-propan-2-yl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

141.09021 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 129.5
[M+Na]+ 164.07943 140.3
[M+NH4]+ 159.12403 136.3
[M+K]+ 180.05337 137.8
[M-H]- 140.08293 128.3
[M+Na-2H]- 162.06488 134.1
[M]+ 141.08966 130.4
[M]- 141.09076 130.4
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

patents stripe