CID 165429819

An isonitrile lipopetide

Structural Information

Molecular Formula
C12H24N4O4
SMILES
C(CCNC(=O)CCN)C[C@@H](C(=O)O)NC(=O)CCN
InChI
InChI=1S/C12H24N4O4/c13-6-4-10(17)15-8-2-1-3-9(12(19)20)16-11(18)5-7-14/h9H,1-8,13-14H2,(H,15,17)(H,16,18)(H,19,20)/t9-/m0/s1
InChIKey
QDXYNNRXWXGSCQ-VIFPVBQESA-N
Compound name
(2S)-2,6-bis(3-aminopropanoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.17975 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.18703 169.8
[M+Na]+ 311.16897 170.6
[M+NH4]+ 306.21357 171.6
[M+K]+ 327.14291 169.9
[M-H]- 287.17247 166.3
[M+Na-2H]- 309.15442 166.8
[M]+ 288.17920 167.7
[M]- 288.18030 167.7
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.