CID 83675334

1-(1-methyl-1h-1,2,3-triazol-4-yl)propan-2-ol

Structural Information

Molecular Formula
C6H11N3O
SMILES
CC(CC1=CN(N=N1)C)O
InChI
InChI=1S/C6H11N3O/c1-5(10)3-6-4-9(2)8-7-6/h4-5,10H,3H2,1-2H3
InChIKey
SRIBOFCAJXTSEL-UHFFFAOYSA-N
Compound name
1-(1-methyltriazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 129.4
[M+Na]+ 164.07943 138.3
[M-H]- 140.08293 128.0
[M+NH4]+ 159.12403 148.3
[M+K]+ 180.05337 137.3
[M+H-H2O]+ 124.08747 122.2
[M+HCOO]- 186.08841 149.5
[M+CH3COO]- 200.10406 172.0
[M+Na-2H]- 162.06488 134.2
[M]+ 141.08966 129.8
[M]- 141.09076 129.8
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.