CID 131631980

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

Structural Information

Molecular Formula
C8H15N3O
SMILES
CC(C)N1C=C(N=N1)CC(C)O
InChI
InChI=1S/C8H15N3O/c1-6(2)11-5-8(9-10-11)4-7(3)12/h5-7,12H,4H2,1-3H3
InChIKey
JRACIMISJNKUEV-UHFFFAOYSA-N
Compound name
1-(1-propan-2-yltriazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.1215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 138.4
[M+Na]+ 192.11072 148.4
[M+NH4]+ 187.15532 144.7
[M+K]+ 208.08466 146.3
[M-H]- 168.11422 136.8
[M+Na-2H]- 190.09617 142.0
[M]+ 169.12095 139.0
[M]- 169.12205 139.0
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.