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]+ 286.20128 169.8
[M+Na]+ 308.18322 171.7
[M-H]- 284.18672 170.3
[M+NH4]+ 303.22782 186.1
[M+K]+ 324.15716 170.9
[M+H-H2O]+ 268.19126 164.6
[M+HCOO]- 330.19220 185.2
[M+CH3COO]- 344.20785 199.0
[M+Na-2H]- 306.16867 171.7
[M]+ 285.19345 167.8
[M]- 285.19455 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