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

667
Patents

101.058914 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.066190 115.6
[M+Na]+ 124.048132 122.5
[M-H]- 100.051638 117.6
[M+NH4]+ 119.092737 138.2
[M+K]+ 140.022072 118.6
[M+H-H2O]+ 84.056174 115.1
[M+HCOO]- 146.057115 146.0
[M+CH3COO]- 160.072765 167.2
[M+Na-2H]- 122.033580 127.0
[M]+ 101.05836542 113.3
[M]- 101.05946258 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