CID 54764213

(3-azidophenyl)methanol

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC(=CC(=C1)N=[N+]=[N-])CO
InChI
InChI=1S/C7H7N3O/c8-10-9-7-3-1-2-6(4-7)5-11/h1-4,11H,5H2
InChIKey
BBWVHPYOSCPZGJ-UHFFFAOYSA-N
Compound name
(3-azidophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

149.05891 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 125.8
[M+Na]+ 172.04813 133.1
[M-H]- 148.05163 131.1
[M+NH4]+ 167.09273 146.5
[M+K]+ 188.02207 127.1
[M+H-H2O]+ 132.05617 124.1
[M+HCOO]- 194.05711 156.6
[M+CH3COO]- 208.07276 175.6
[M+Na-2H]- 170.03358 137.3
[M]+ 149.05836 123.0
[M]- 149.05946 123.0
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