CID 12908108

1-azidopropan-2-ol

Structural Information

Molecular Formula
C3H7N3O
SMILES
CC(CN=[N+]=[N-])O
InChI
InChI=1S/C3H7N3O/c1-3(7)2-5-6-4/h3,7H,2H2,1H3
InChIKey
YKPFXAHKQLQHCJ-UHFFFAOYSA-N
Compound name
1-azidopropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

101.058914 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.06619 116.1
[M+Na]+ 124.04813 122.9
[M-H]- 100.05164 118.2
[M+NH4]+ 119.09274 138.7
[M+K]+ 140.02207 119.3
[M+H-H2O]+ 84.056174 115.8
[M+HCOO]- 146.05712 145.5
[M+CH3COO]- 160.07276 167.8
[M+Na-2H]- 122.03358 126.3
[M]+ 101.05837 113.2
[M]- 101.05946 113.2
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