CID 425538

Methyl 2-phenylethanecarboximidate hydrochloride

Structural Information

Molecular Formula
C9H11NO
SMILES
COC(=N)CC1=CC=CC=C1
InChI
InChI=1S/C9H11NO/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChIKey
GKRCMFSWPXMFMA-UHFFFAOYSA-N
Compound name
methyl 2-phenylethanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

149.08406 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.6
[M+Na]+ 172.07328 137.3
[M-H]- 148.07678 134.3
[M+NH4]+ 167.11788 151.5
[M+K]+ 188.04722 135.7
[M+H-H2O]+ 132.08132 124.7
[M+HCOO]- 194.08226 155.7
[M+CH3COO]- 208.09791 177.4
[M+Na-2H]- 170.05873 137.9
[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