CID 5747397

Brn 5826795

Structural Information

Molecular Formula
C14H24N2O6
SMILES
C[C@@H](C(=O)O)NC(=O)CCCCCCC(=O)N[C@@H](C)C(=O)O
InChI
InChI=1S/C14H24N2O6/c1-9(13(19)20)15-11(17)7-5-3-4-6-8-12(18)16-10(2)14(21)22/h9-10H,3-8H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/t9-,10-/m0/s1
InChIKey
ISSFNVVYYLDNEF-UWVGGRQHSA-N
Compound name
(2S)-2-[[8-[[(1S)-1-carboxyethyl]amino]-8-oxooctanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16342 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.170696 176.2
[M+Na]+ 339.152638 177.0
[M-H]- 315.156144 172.4
[M+NH4]+ 334.197243 191.4
[M+K]+ 355.126578 177.1
[M+H-H2O]+ 299.160680 169.3
[M+HCOO]- 361.161621 186.2
[M+CH3COO]- 375.177271 209.5
[M+Na-2H]- 337.138086 171.4
[M]+ 316.16287142 176.7
[M]- 316.16396858 176.7
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

No patent data available for this compound.