CID 4195634

2-cyano-n-[2-(4-methoxyphenyl)ethyl]acetamide

Structural Information

Molecular Formula
C12H14N2O2
SMILES
COC1=CC=C(C=C1)CCNC(=O)CC#N
InChI
InChI=1S/C12H14N2O2/c1-16-11-4-2-10(3-5-11)7-9-14-12(15)6-8-13/h2-5H,6-7,9H2,1H3,(H,14,15)
InChIKey
AIXFPHMFCMZNNO-UHFFFAOYSA-N
Compound name
2-cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 150.3
[M+Na]+ 241.09475 158.5
[M-H]- 217.09825 153.2
[M+NH4]+ 236.13935 166.5
[M+K]+ 257.06869 155.8
[M+H-H2O]+ 201.10279 137.1
[M+HCOO]- 263.10373 170.8
[M+CH3COO]- 277.11938 202.2
[M+Na-2H]- 239.08020 154.7
[M]+ 218.10498 146.9
[M]- 218.10608 146.9
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

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