CID 3074827

Neboglamine

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC1(CCC(CC1)NC(=O)[C@H](CCC(=O)O)N)C
InChI
InChI=1S/C13H24N2O3/c1-13(2)7-5-9(6-8-13)15-12(18)10(14)3-4-11(16)17/h9-10H,3-8,14H2,1-2H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKey
VCRGLZYPNNAVRP-JTQLQIEISA-N
Compound name
(4S)-4-amino-5-[(4,4-dimethylcyclohexyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

22
References

287
Patents

256.17868 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 162.3
[M+Na]+ 279.167898 164.4
[M-H]- 255.171404 162.7
[M+NH4]+ 274.212503 179.2
[M+K]+ 295.141838 163.2
[M+H-H2O]+ 239.175940 156.8
[M+HCOO]- 301.176881 179.0
[M+CH3COO]- 315.192531 198.7
[M+Na-2H]- 277.153346 161.4
[M]+ 256.17813142 156.6
[M]- 256.17922858 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe