CID 121075

1227-30-1

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]+ 286.23768 172.7
[M+Na]+ 308.21962 173.7
[M-H]- 284.22312 175.5
[M+NH4]+ 303.26422 188.4
[M+K]+ 324.19356 174.0
[M+H-H2O]+ 268.22766 165.6
[M+HCOO]- 330.22860 190.4
[M+CH3COO]- 344.24425 207.6
[M+Na-2H]- 306.20507 173.4
[M]+ 285.22985 173.8
[M]- 285.23095 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.