CID 56843152

39668-79-6

Structural Information

Molecular Formula
C16H29NO3
SMILES
CCCOC(=O)CNC(=O)C1CC(CCC1C(C)C)C
InChI
InChI=1S/C16H29NO3/c1-5-8-20-15(18)10-17-16(19)14-9-12(4)6-7-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,17,19)
InChIKey
NOHWSHIQJRPKOC-UHFFFAOYSA-N
Compound name
propyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

283.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.222026 171.7
[M+Na]+ 306.203968 173.9
[M-H]- 282.207474 173.7
[M+NH4]+ 301.248573 187.2
[M+K]+ 322.177908 172.8
[M+H-H2O]+ 266.212010 165.0
[M+HCOO]- 328.212951 188.6
[M+CH3COO]- 342.228601 206.5
[M+Na-2H]- 304.189416 168.5
[M]+ 283.21420142 170.7
[M]- 283.21529858 170.7
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