CID 81445217

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

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC(C1=CN(N=N1)C)O
InChI
InChI=1S/C5H9N3O/c1-4(9)5-3-8(2)7-6-5/h3-4,9H,1-2H3
InChIKey
KHLJOFMIDILHNE-UHFFFAOYSA-N
Compound name
1-(1-methyltriazol-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

127.07456 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.8
[M+Na]+ 150.06378 134.2
[M-H]- 126.06728 123.6
[M+NH4]+ 145.10838 144.3
[M+K]+ 166.03772 133.4
[M+H-H2O]+ 110.07182 117.8
[M+HCOO]- 172.07276 145.2
[M+CH3COO]- 186.08841 169.0
[M+Na-2H]- 148.04923 130.2
[M]+ 127.07401 124.8
[M]- 127.07511 124.8
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

patents stripe