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]+ 204.11498 146.5
[M+Na]+ 226.09692 152.3
[M-H]- 202.10042 149.4
[M+NH4]+ 221.14152 166.4
[M+K]+ 242.07086 149.1
[M+H-H2O]+ 186.10496 141.8
[M+HCOO]- 248.10590 162.2
[M+CH3COO]- 262.12155 187.7
[M+Na-2H]- 224.08237 148.3
[M]+ 203.10715 144.4
[M]- 203.10825 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