CID 10996974

3-azidopropan-1-ol

Structural Information

Molecular Formula
C3H7N3O
SMILES
C(CN=[N+]=[N-])CO
InChI
InChI=1S/C3H7N3O/c4-6-5-2-1-3-7/h7H,1-3H2
InChIKey
WHVSIWLMCCGHFW-UHFFFAOYSA-N
Compound name
3-azidopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

799
Patents

101.058914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.06619 115.6
[M+Na]+ 124.04813 122.5
[M-H]- 100.05164 117.6
[M+NH4]+ 119.09274 138.2
[M+K]+ 140.02207 118.6
[M+H-H2O]+ 84.056174 115.1
[M+HCOO]- 146.05712 146.0
[M+CH3COO]- 160.07276 167.2
[M+Na-2H]- 122.03358 127.0
[M]+ 101.05837 113.3
[M]- 101.05946 113.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe