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
3
Annotation Hits

52
References

15623
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 122.2
[M+Na]+ 146.05763 129.6
[M-H]- 122.06113 125.5
[M+NH4]+ 141.10223 143.9
[M+K]+ 162.03157 128.3
[M+H-H2O]+ 106.06567 116.6
[M+HCOO]- 168.06661 148.1
[M+CH3COO]- 182.08226 171.4
[M+Na-2H]- 144.04308 130.8
[M]+ 123.06786 121.0
[M]- 123.06896 121.0
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