CID 4711802

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

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=NN(C=N1)CCCO
InChI
InChI=1S/C5H9N3O/c9-3-1-2-8-5-6-4-7-8/h4-5,9H,1-3H2
InChIKey
IFIXOVUEWNCJED-UHFFFAOYSA-N
Compound name
3-(1,2,4-triazol-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

127.07456 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 124.5
[M+Na]+ 150.063778 133.1
[M-H]- 126.067284 122.7
[M+NH4]+ 145.108383 143.6
[M+K]+ 166.037718 131.9
[M+H-H2O]+ 110.071820 116.9
[M+HCOO]- 172.072761 145.8
[M+CH3COO]- 186.088411 167.1
[M+Na-2H]- 148.049226 131.7
[M]+ 127.07401142 124.7
[M]- 127.07510858 124.7
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