CID 84762209

(5-ethyl-1h-1,2,3-triazol-4-yl)methanol

Structural Information

Molecular Formula
C5H9N3O
SMILES
CCC1=NNN=C1CO
InChI
InChI=1S/C5H9N3O/c1-2-4-5(3-9)7-8-6-4/h9H,2-3H2,1H3,(H,6,7,8)
InChIKey
QNYYOBQOINUFOZ-UHFFFAOYSA-N
Compound name
(5-ethyl-2H-triazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

127.07456 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 125.5
[M+Na]+ 150.06378 134.6
[M-H]- 126.06728 122.7
[M+NH4]+ 145.10838 144.2
[M+K]+ 166.03772 132.4
[M+H-H2O]+ 110.07182 118.5
[M+HCOO]- 172.07276 145.3
[M+CH3COO]- 186.08841 165.5
[M+Na-2H]- 148.04923 131.5
[M]+ 127.07401 124.2
[M]- 127.07511 124.2
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

patents stripe