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]+ 170.128776 138.7
[M+Na]+ 192.110718 146.5
[M-H]- 168.114224 137.1
[M+NH4]+ 187.155323 156.4
[M+K]+ 208.084658 145.4
[M+H-H2O]+ 152.118760 131.2
[M+HCOO]- 214.119701 157.1
[M+CH3COO]- 228.135351 178.9
[M+Na-2H]- 190.096166 141.3
[M]+ 169.12095142 139.2
[M]- 169.12204858 139.2
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.