CID 91883

56471-48-8

Structural Information

Molecular Formula
C16H29NO3
SMILES
CCOC(=O)CNC(=O)C1(CCCCCC1C)C(C)C
InChI
InChI=1S/C16H29NO3/c1-5-20-14(18)11-17-15(19)16(12(2)3)10-8-6-7-9-13(16)4/h12-13H,5-11H2,1-4H3,(H,17,19)
InChIKey
IMFCJDMCTVMSKP-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-methyl-1-propan-2-ylcycloheptanecarbonyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.21475 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.222026 164.2
[M+Na]+ 306.203968 164.7
[M-H]- 282.207474 167.5
[M+NH4]+ 301.248573 180.3
[M+K]+ 322.177908 168.6
[M+H-H2O]+ 266.212010 158.8
[M+HCOO]- 328.212951 180.6
[M+CH3COO]- 342.228601 205.1
[M+Na-2H]- 304.189416 163.3
[M]+ 283.21420142 160.1
[M]- 283.21529858 160.1
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