CID 20814414

(r)-3-tert-butoxycarbonylamino-4-cyclohexylbutyric acid

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 169.1
[M+Na]+ 308.18322 174.0
[M+NH4]+ 303.22782 173.7
[M+K]+ 324.15716 171.6
[M-H]- 284.18672 167.4
[M+Na-2H]- 306.16867 169.5
[M]+ 285.19345 168.7
[M]- 285.19455 168.7
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