CID 18726738

881845-14-3

Structural Information

Molecular Formula
C5H9N3O
SMILES
CC1=NN=C(N1C)CO
InChI
InChI=1S/C5H9N3O/c1-4-6-7-5(3-9)8(4)2/h9H,3H2,1-2H3
InChIKey
SUYSEWOAGPULMR-UHFFFAOYSA-N
Compound name
(4,5-dimethyl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

127.07456 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.4
[M+Na]+ 150.06378 135.0
[M-H]- 126.06728 123.4
[M+NH4]+ 145.10838 144.3
[M+K]+ 166.03772 133.6
[M+H-H2O]+ 110.07182 117.6
[M+HCOO]- 172.07276 145.8
[M+CH3COO]- 186.08841 169.3
[M+Na-2H]- 148.04923 130.2
[M]+ 127.07401 125.4
[M]- 127.07511 125.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe