CID 57311899

1897740-02-1

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(C)(C)OC(=O)NC1(CCCCC1)CCCC(=O)O
InChI
InChI=1S/C15H27NO4/c1-14(2,3)20-13(19)16-15(9-5-4-6-10-15)11-7-8-12(17)18/h4-11H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
OMTMQMDGZGZDDQ-UHFFFAOYSA-N
Compound name
4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.194 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.201276 169.8
[M+Na]+ 308.183218 171.7
[M-H]- 284.186724 170.3
[M+NH4]+ 303.227823 186.1
[M+K]+ 324.157158 170.9
[M+H-H2O]+ 268.191260 164.6
[M+HCOO]- 330.192201 185.2
[M+CH3COO]- 344.207851 199.0
[M+Na-2H]- 306.168666 171.7
[M]+ 285.19345142 167.8
[M]- 285.19454858 167.8
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