CID 9610218

3-phenylpropionaldoxim

Structural Information

Molecular Formula
C9H11NO
SMILES
C1=CC=C(C=C1)CC/C=N/O
InChI
InChI=1S/C9H11NO/c11-10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8,11H,4,7H2/b10-8+
InChIKey
WSTRHGOVAOUOJW-CSKARUKUSA-N
Compound name
(NE)-N-(3-phenylpropylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

149.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.9
[M+Na]+ 172.07328 136.8
[M-H]- 148.07678 133.5
[M+NH4]+ 167.11788 150.9
[M+K]+ 188.04722 134.8
[M+H-H2O]+ 132.08132 124.0
[M+HCOO]- 194.08226 156.0
[M+CH3COO]- 208.09791 176.6
[M+Na-2H]- 170.05873 138.5
[M]+ 149.08351 129.8
[M]- 149.08461 129.8
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