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

204
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 124.5
[M+Na]+ 150.06378 133.1
[M-H]- 126.06728 122.7
[M+NH4]+ 145.10838 143.6
[M+K]+ 166.03772 131.9
[M+H-H2O]+ 110.07182 116.9
[M+HCOO]- 172.07276 145.8
[M+CH3COO]- 186.08841 167.1
[M+Na-2H]- 148.04923 131.7
[M]+ 127.07401 124.7
[M]- 127.07511 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