CID 121075

Dtxsid20924234

Structural Information

Molecular Formula
C16H31NO3
SMILES
CCN(CC)CCOC(=O)C(C)(C)OC1CCCCC1
InChI
InChI=1S/C16H31NO3/c1-5-17(6-2)12-13-19-15(18)16(3,4)20-14-10-8-7-9-11-14/h14H,5-13H2,1-4H3
InChIKey
KRGCBSHSDMAXNK-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-cyclohexyloxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.237676 172.7
[M+Na]+ 308.219618 173.7
[M-H]- 284.223124 175.5
[M+NH4]+ 303.264223 188.4
[M+K]+ 324.193558 174.0
[M+H-H2O]+ 268.227660 165.6
[M+HCOO]- 330.228601 190.4
[M+CH3COO]- 344.244251 207.6
[M+Na-2H]- 306.205066 173.4
[M]+ 285.22985142 173.8
[M]- 285.23094858 173.8
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.