CID 3053876

Anc 87

Structural Information

Molecular Formula
C15H28NO4
SMILES
C[N+]1(CCOCC1)CCOC(=O)CC2(CCCCC2)O
InChI
InChI=1S/C15H28NO4/c1-16(7-10-19-11-8-16)9-12-20-14(17)13-15(18)5-3-2-4-6-15/h18H,2-13H2,1H3/q+1
InChIKey
QJSMTAJUFUSOQE-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-(1-hydroxycyclohexyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.20184 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.20912 169.5
[M+Na]+ 309.19106 170.6
[M-H]- 285.19456 172.1
[M+NH4]+ 304.23566 184.6
[M+K]+ 325.16500 164.9
[M+H-H2O]+ 269.19910 165.0
[M+HCOO]- 331.20004 180.6
[M+CH3COO]- 345.21569 187.2
[M+Na-2H]- 307.17651 174.9
[M]+ 286.20129 163.0
[M]- 286.20239 163.0
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.