CID 202940

13571-04-5

Structural Information

Molecular Formula
C8H11NO
SMILES
C1=CC=C(C=C1)CCON
InChI
InChI=1S/C8H11NO/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChIKey
BZCDKOOXCPRISF-UHFFFAOYSA-N
Compound name
O-(2-phenylethyl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

137.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 126.8
[M+Na]+ 160.07328 133.8
[M-H]- 136.07678 129.9
[M+NH4]+ 155.11788 148.0
[M+K]+ 176.04722 132.2
[M+H-H2O]+ 120.08132 121.0
[M+HCOO]- 182.08226 152.4
[M+CH3COO]- 196.09791 174.4
[M+Na-2H]- 158.05873 134.9
[M]+ 137.08351 126.1
[M]- 137.08461 126.1
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