CID 3044615

Diaethylaminoessigsaeure-cis,cis-2,6-dimethylcyclohexylamid [german]

Structural Information

Molecular Formula
C14H28N2O
SMILES
CCN(CC)CC(=O)NC1[C@@H](CCC[C@@H]1C)C
InChI
InChI=1S/C14H28N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h11-12,14H,5-10H2,1-4H3,(H,15,17)/t11-,12+,14?
InChIKey
RECKISPZICHUQW-ONXXMXGDSA-N
Compound name
2-(diethylamino)-N-[(2R,6S)-2,6-dimethylcyclohexyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.22017 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.227446 161.9
[M+Na]+ 263.209388 164.4
[M-H]- 239.212894 165.5
[M+NH4]+ 258.253993 179.7
[M+K]+ 279.183328 163.7
[M+H-H2O]+ 223.217430 154.9
[M+HCOO]- 285.218371 182.3
[M+CH3COO]- 299.234021 204.5
[M+Na-2H]- 261.194836 161.5
[M]+ 240.21962142 159.7
[M]- 240.22071858 159.7
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.