CID 5287976

5-amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid

Structural Information

Molecular Formula
C15H29NO3
SMILES
CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O
InChI
InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
InChIKey
SRFUYEFGHOTBHV-IHRRRGAJSA-N
Compound name
(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

271.21475 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.22203 170.8
[M+Na]+ 294.20397 169.8
[M-H]- 270.20747 168.9
[M+NH4]+ 289.24857 184.2
[M+K]+ 310.17791 168.6
[M+H-H2O]+ 254.21201 164.5
[M+HCOO]- 316.21295 182.2
[M+CH3COO]- 330.22860 199.7
[M+Na-2H]- 292.18942 164.9
[M]+ 271.21420 163.5
[M]- 271.21530 163.5
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

No patent data available for this compound.