CID 102313

O-benzylhydroxylamine

Structural Information

Molecular Formula
C7H9NO
SMILES
C1=CC=C(C=C1)CON
InChI
InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey
XYEOALKITRFCJJ-UHFFFAOYSA-N
Compound name
O-benzylhydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

52
References

14693
Patents

123.06841 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.6
[M+Na]+ 146.05763 135.0
[M+NH4]+ 141.10223 132.0
[M+K]+ 162.03157 128.5
[M-H]- 122.06113 125.7
[M+Na-2H]- 144.04308 130.8
[M]+ 123.06786 125.2
[M]- 123.06896 125.2
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