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]+ 254.094236 152.7
[M+Na]+ 276.076178 161.1
[M-H]- 252.079684 161.1
[M+NH4]+ 271.120783 166.2
[M+K]+ 292.050118 157.5
[M+H-H2O]+ 236.084220 146.1
[M+HCOO]- 298.085161 173.3
[M+CH3COO]- 312.100811 200.9
[M+Na-2H]- 274.061626 156.7
[M]+ 253.08641142 159.5
[M]- 253.08750858 159.5
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

No patent data available for this compound.