CID 156906

Cp 88304

Structural Information

Molecular Formula
C15H22ClNO2
SMILES
CC1=C(C(=CC=C1)OCCC(C)C)N(C)C(=O)CCl
InChI
InChI=1S/C15H22ClNO2/c1-11(2)8-9-19-13-7-5-6-12(3)15(13)17(4)14(18)10-16/h5-7,11H,8-10H2,1-4H3
InChIKey
UBAGJCNJDBGZPW-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

283.1339 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14118 165.8
[M+Na]+ 306.12312 177.5
[M+NH4]+ 301.16772 173.3
[M+K]+ 322.09706 171.0
[M-H]- 282.12662 168.0
[M+Na-2H]- 304.10857 170.8
[M]+ 283.13335 168.3
[M]- 283.13445 168.3
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