CID 111236

Ethyl n-phenylformimidate

Structural Information

Molecular Formula
C9H11NO
SMILES
CCOC=NC1=CC=CC=C1
InChI
InChI=1S/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
DRDBNKYFCOLNQO-UHFFFAOYSA-N
Compound name
ethyl N-phenylmethanimidate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

242
Patents

149.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.4
[M+Na]+ 172.07328 136.7
[M-H]- 148.07678 134.3
[M+NH4]+ 167.11788 151.1
[M+K]+ 188.04722 135.7
[M+H-H2O]+ 132.08132 123.2
[M+HCOO]- 194.08226 157.0
[M+CH3COO]- 208.09791 179.3
[M+Na-2H]- 170.05873 138.5
[M]+ 149.08351 131.1
[M]- 149.08461 131.1
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