CID 204624

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

Structural Information

Molecular Formula
C18H31NO3
SMILES
CN(C)CCOC(=O)CC1(CCCC=C1)C2CCC(CC2)O
InChI
InChI=1S/C18H31NO3/c1-19(2)12-13-22-17(21)14-18(10-4-3-5-11-18)15-6-8-16(20)9-7-15/h4,10,15-16,20H,3,5-9,11-14H2,1-2H3
InChIKey
PFKFPVOCGOLTOT-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-[1-(4-hydroxycyclohexyl)cyclohex-2-en-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.2304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 178.0
[M+Na]+ 332.21962 185.6
[M+NH4]+ 327.26422 186.3
[M+K]+ 348.19356 177.9
[M-H]- 308.22312 181.0
[M+Na-2H]- 330.20507 183.0
[M]+ 309.22985 179.7
[M]- 309.23095 179.7
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.