CID 112756264

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

Structural Information

Molecular Formula
C7H13N3O
SMILES
CCN1C=C(N=N1)C(C)(C)O
InChI
InChI=1S/C7H13N3O/c1-4-10-5-6(8-9-10)7(2,3)11/h5,11H,4H2,1-3H3
InChIKey
JGAMQVOQQRMPCV-UHFFFAOYSA-N
Compound name
2-(1-ethyltriazol-4-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

155.10587 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 134.8
[M+Na]+ 178.09509 144.0
[M-H]- 154.09859 133.5
[M+NH4]+ 173.13969 153.4
[M+K]+ 194.06903 142.6
[M+H-H2O]+ 138.10313 128.1
[M+HCOO]- 200.10407 153.9
[M+CH3COO]- 214.11972 174.5
[M+Na-2H]- 176.08054 141.0
[M]+ 155.10532 135.7
[M]- 155.10642 135.7
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