CID 11521869

Ethyl n-[[5-methyl-2-(isopropyl)cyclohexyl]carbonyl]glycinate

Structural Information

Molecular Formula
C15H27NO3
SMILES
CCOC(=O)CNC(=O)C1CC(CCC1C(C)C)C
InChI
InChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)
InChIKey
GWRCTWAPTXBPHW-UHFFFAOYSA-N
Compound name
ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1773
Patents

269.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.20638 167.1
[M+Na]+ 292.18832 169.7
[M-H]- 268.19182 169.3
[M+NH4]+ 287.23292 183.2
[M+K]+ 308.16226 168.9
[M+H-H2O]+ 252.19636 160.6
[M+HCOO]- 314.19730 184.3
[M+CH3COO]- 328.21295 203.5
[M+Na-2H]- 290.17377 164.4
[M]+ 269.19855 165.8
[M]- 269.19965 165.8
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

patents stripe