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

19
Patents

149.05891 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.066186 125.8
[M+Na]+ 172.048128 133.1
[M-H]- 148.051634 131.1
[M+NH4]+ 167.092733 146.5
[M+K]+ 188.022068 127.1
[M+H-H2O]+ 132.056170 124.1
[M+HCOO]- 194.057111 156.6
[M+CH3COO]- 208.072761 175.6
[M+Na-2H]- 170.033576 137.3
[M]+ 149.05836142 123.0
[M]- 149.05945858 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