CID 19811983

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

Structural Information

Molecular Formula
C5H9N3O
SMILES
CCC(C1=NC=NN1)O
InChI
InChI=1S/C5H9N3O/c1-2-4(9)5-6-3-7-8-5/h3-4,9H,2H2,1H3,(H,6,7,8)
InChIKey
FKWGJSLGGBBAQF-UHFFFAOYSA-N
Compound name
1-(1H-1,2,4-triazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

127.07456 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 125.9
[M+Na]+ 150.063778 133.8
[M-H]- 126.067284 122.9
[M+NH4]+ 145.108383 144.3
[M+K]+ 166.037718 132.1
[M+H-H2O]+ 110.071820 118.7
[M+HCOO]- 172.072761 144.8
[M+CH3COO]- 186.088411 165.3
[M+Na-2H]- 148.049226 131.4
[M]+ 127.07401142 123.6
[M]- 127.07510858 123.6
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