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]+ 286.20128 168.8
[M+Na]+ 308.18322 170.9
[M-H]- 284.18672 171.0
[M+NH4]+ 303.22782 184.1
[M+K]+ 324.15716 171.3
[M+H-H2O]+ 268.19126 162.7
[M+HCOO]- 330.19220 184.8
[M+CH3COO]- 344.20785 204.1
[M+Na-2H]- 306.16867 168.1
[M]+ 285.19345 168.1
[M]- 285.19455 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.