CID 122997

4-(hydroxymethyl)benzenediazonium

Structural Information

Molecular Formula
C7H7N2O
SMILES
C1=CC(=CC=C1CO)[N+]#N
InChI
InChI=1S/C7H7N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-4,10H,5H2/q+1
InChIKey
BTKRSPXVXZNYGV-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

17
Patents

135.05583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.06311 128.4
[M+Na]+ 158.04505 138.6
[M-H]- 134.04855 132.3
[M+NH4]+ 153.08965 147.6
[M+K]+ 174.01899 131.8
[M+H-H2O]+ 118.05309 119.0
[M+HCOO]- 180.05403 150.7
[M+CH3COO]- 194.06968 181.4
[M+Na-2H]- 156.03050 138.3
[M]+ 135.05528 122.4
[M]- 135.05638 122.4
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