CID 4622238

2-chloro-n-(2,3-dimethylcyclohexyl)acetamide

Structural Information

Molecular Formula
C10H18ClNO
SMILES
CC1CCCC(C1C)NC(=O)CCl
InChI
InChI=1S/C10H18ClNO/c1-7-4-3-5-9(8(7)2)12-10(13)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKey
SJQAZCTZMYEFHA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,3-dimethylcyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.1077 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.114976 146.5
[M+Na]+ 226.096918 152.3
[M-H]- 202.100424 149.4
[M+NH4]+ 221.141523 166.4
[M+K]+ 242.070858 149.1
[M+H-H2O]+ 186.104960 141.8
[M+HCOO]- 248.105901 162.2
[M+CH3COO]- 262.121551 187.7
[M+Na-2H]- 224.082366 148.3
[M]+ 203.10715142 144.4
[M]- 203.10824858 144.4
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.

Patent stripe

patents stripe