CID 7131776

2-chloro-n-cyclopropyl-n-[(4-methoxyphenyl)methyl]acetamide

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
COC1=CC=C(C=C1)CN(C2CC2)C(=O)CCl
InChI
InChI=1S/C13H16ClNO2/c1-17-12-6-2-10(3-7-12)9-15(11-4-5-11)13(16)8-14/h2-3,6-7,11H,4-5,8-9H2,1H3
InChIKey
MTGYGBNCPKSKCI-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 154.1
[M+Na]+ 276.07618 167.7
[M+NH4]+ 271.12078 163.2
[M+K]+ 292.05012 162.4
[M-H]- 252.07968 164.6
[M+Na-2H]- 274.06163 163.9
[M]+ 253.08641 160.4
[M]- 253.08751 160.4
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.

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No patent data available for this compound.