CID 20814414

321330-09-0

Structural Information

Molecular Formula
C15H27NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CC1CCCCC1)CC(=O)O
InChI
InChI=1S/C15H27NO4/c1-15(2,3)20-14(19)16-12(10-13(17)18)9-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m1/s1
InChIKey
FIBAFRJLUXGPPW-GFCCVEGCSA-N
Compound name
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

285.194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.201276 170.1
[M+Na]+ 308.183218 170.8
[M-H]- 284.186724 170.4
[M+NH4]+ 303.227823 184.3
[M+K]+ 324.157158 170.2
[M+H-H2O]+ 268.191260 163.9
[M+HCOO]- 330.192201 184.6
[M+CH3COO]- 344.207851 200.4
[M+Na-2H]- 306.168666 169.5
[M]+ 285.19345142 167.1
[M]- 285.19454858 167.1
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

patents stripe