CID 132346964

2137643-39-9

Structural Information

Molecular Formula
C15H27NO4
SMILES
CCN(CC1CCC(CC1)C(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H27NO4/c1-5-16(14(19)20-15(2,3)4)10-11-6-8-12(9-7-11)13(17)18/h11-12H,5-10H2,1-4H3,(H,17,18)
InChIKey
KBTQPEGXSHURMJ-UHFFFAOYSA-N
Compound name
4-[[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.194 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.201276 168.8
[M+Na]+ 308.183218 170.9
[M-H]- 284.186724 171.0
[M+NH4]+ 303.227823 184.1
[M+K]+ 324.157158 171.3
[M+H-H2O]+ 268.191260 162.7
[M+HCOO]- 330.192201 184.8
[M+CH3COO]- 344.207851 204.1
[M+Na-2H]- 306.168666 168.1
[M]+ 285.19345142 168.1
[M]- 285.19454858 168.1
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

No patent data available for this compound.