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]+ 286.20128 170.1
[M+Na]+ 308.18322 170.8
[M-H]- 284.18672 170.4
[M+NH4]+ 303.22782 184.3
[M+K]+ 324.15716 170.2
[M+H-H2O]+ 268.19126 163.9
[M+HCOO]- 330.19220 184.6
[M+CH3COO]- 344.20785 200.4
[M+Na-2H]- 306.16867 169.5
[M]+ 285.19345 167.1
[M]- 285.19455 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