CID 204622

2-dimethylaminoethyl 4-hydroxycyclohexyl-delta(sup 1,alpha)-cyclohexaneacetate hydrochloride

Structural Information

Molecular Formula
C12H21NO3
SMILES
CN(C)CCOC(=O)C=C1CCC(CC1)O
InChI
InChI=1S/C12H21NO3/c1-13(2)7-8-16-12(15)9-10-3-5-11(14)6-4-10/h9,11,14H,3-8H2,1-2H3
InChIKey
REERMOGXZJKKPT-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-hydroxycyclohexylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.15215 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 154.2
[M+Na]+ 250.14137 161.9
[M+NH4]+ 245.18597 160.7
[M+K]+ 266.11531 157.3
[M-H]- 226.14487 154.7
[M+Na-2H]- 248.12682 156.6
[M]+ 227.15160 155.0
[M]- 227.15270 155.0
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.