CID 690675

288154-72-3

Structural Information

Molecular Formula
C11H12N2O2
SMILES
COC1=CC=C(C=C1)CNC(=O)CC#N
InChI
InChI=1S/C11H12N2O2/c1-15-10-4-2-9(3-5-10)8-13-11(14)6-7-12/h2-5H,6,8H2,1H3,(H,13,14)
InChIKey
CZEXVFFBZBDCNV-UHFFFAOYSA-N
Compound name
2-cyano-N-[(4-methoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

204.08987 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.097146 146.3
[M+Na]+ 227.079088 155.0
[M-H]- 203.082594 149.4
[M+NH4]+ 222.123693 163.1
[M+K]+ 243.053028 152.5
[M+H-H2O]+ 187.087130 133.4
[M+HCOO]- 249.088071 167.1
[M+CH3COO]- 263.103721 199.5
[M+Na-2H]- 225.064536 151.2
[M]+ 204.08932142 142.6
[M]- 204.09041858 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe