CID 53916

77966-56-4

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
CC1=C(C(=CC=C1)Cl)N(C)C(=O)CN(C)C
InChI
InChI=1S/C12H17ClN2O/c1-9-6-5-7-10(13)12(9)15(4)11(16)8-14(2)3/h5-7H,8H2,1-4H3
InChIKey
LHXMHVIAXACVMZ-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-(dimethylamino)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10294 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 154.5
[M+Na]+ 263.09216 162.0
[M-H]- 239.09566 161.1
[M+NH4]+ 258.13676 174.1
[M+K]+ 279.06610 160.4
[M+H-H2O]+ 223.10020 148.5
[M+HCOO]- 285.10114 176.0
[M+CH3COO]- 299.11679 204.5
[M+Na-2H]- 261.07761 157.0
[M]+ 240.10239 159.5
[M]- 240.10349 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.