CID 43341536

2413898-16-3

Structural Information

Molecular Formula
C14H25NO4
SMILES
CCC1CCC(CC1)(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-5-10-6-8-14(9-7-10,11(16)17)15-12(18)19-13(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)(H,16,17)
InChIKey
ZAZPLMHOAWBGOA-UHFFFAOYSA-N
Compound name
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18562 164.2
[M+Na]+ 294.16756 167.5
[M-H]- 270.17106 165.4
[M+NH4]+ 289.21216 181.5
[M+K]+ 310.14150 167.1
[M+H-H2O]+ 254.17560 159.7
[M+HCOO]- 316.17654 180.0
[M+CH3COO]- 330.19219 197.2
[M+Na-2H]- 292.15301 166.2
[M]+ 271.17779 162.3
[M]- 271.17889 162.3
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.