CID 3053850

Anc 148

Structural Information

Molecular Formula
C12H23NO3
SMILES
CN(C)CCOC(=O)COC1CCCCC1
InChI
InChI=1S/C12H23NO3/c1-13(2)8-9-15-12(14)10-16-11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
InChIKey
ZFSQNMDPGDNXOY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-cyclohexyloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.17508 155.5
[M+Na]+ 252.15702 157.7
[M-H]- 228.16052 158.8
[M+NH4]+ 247.20162 173.3
[M+K]+ 268.13096 158.5
[M+H-H2O]+ 212.16506 148.4
[M+HCOO]- 274.16600 176.0
[M+CH3COO]- 288.18165 195.2
[M+Na-2H]- 250.14247 157.3
[M]+ 229.16725 155.5
[M]- 229.16835 155.5
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.