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]+ 244.19072 161.8
[M+Na]+ 266.17266 162.3
[M-H]- 242.17616 161.6
[M+NH4]+ 261.21726 177.2
[M+K]+ 282.14660 161.8
[M+H-H2O]+ 226.18070 155.3
[M+HCOO]- 288.18164 176.3
[M+CH3COO]- 302.19729 194.4
[M+Na-2H]- 264.15811 158.6
[M]+ 243.18289 156.1
[M]- 243.18399 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