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

24
Patents

127.07456 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 125.9
[M+Na]+ 150.06378 133.8
[M-H]- 126.06728 122.9
[M+NH4]+ 145.10838 144.3
[M+K]+ 166.03772 132.1
[M+H-H2O]+ 110.07182 118.7
[M+HCOO]- 172.07276 144.8
[M+CH3COO]- 186.08841 165.3
[M+Na-2H]- 148.04923 131.4
[M]+ 127.07401 123.6
[M]- 127.07511 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