CID 2794173

N-benzylhydroxylamine hydrochloride

Structural Information

Molecular Formula
C7H9NO
SMILES
C1=CC=C(C=C1)CNO
InChI
InChI=1S/C7H9NO/c9-8-6-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKey
LVCDXCQFSONNDO-UHFFFAOYSA-N
Compound name
N-benzylhydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

4467
Patents

123.06841 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.2
[M+Na]+ 146.05763 129.2
[M-H]- 122.06113 124.6
[M+NH4]+ 141.10223 143.5
[M+K]+ 162.03157 127.3
[M+H-H2O]+ 106.06567 116.8
[M+HCOO]- 168.06661 147.2
[M+CH3COO]- 182.08226 169.4
[M+Na-2H]- 144.04308 131.4
[M]+ 123.06786 120.2
[M]- 123.06896 120.2
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