CID 5289045

Cyclohexyl-norstatine

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)OC(=O)[C@@H]([C@H](CC1CCCCC1)N)O
InChI
InChI=1S/C13H25NO3/c1-9(2)17-13(16)12(15)11(14)8-10-6-4-3-5-7-10/h9-12,15H,3-8,14H2,1-2H3/t11-,12+/m0/s1
InChIKey
GSYSEQUYQXPNHH-NWDGAFQWSA-N
Compound name
propan-2-yl (2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

243.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.190716 161.8
[M+Na]+ 266.172658 162.3
[M-H]- 242.176164 161.6
[M+NH4]+ 261.217263 177.2
[M+K]+ 282.146598 161.8
[M+H-H2O]+ 226.180700 155.3
[M+HCOO]- 288.181641 176.3
[M+CH3COO]- 302.197291 194.4
[M+Na-2H]- 264.158106 158.6
[M]+ 243.18289142 156.1
[M]- 243.18398858 156.1
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