CID 76057521

N-(4-amino-1-carbamoyl-butyl)octanamide

Structural Information

Molecular Formula
C13H27N3O2
SMILES
CCCCCCCC(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C13H27N3O2/c1-2-3-4-5-6-9-12(17)16-11(13(15)18)8-7-10-14/h11H,2-10,14H2,1H3,(H2,15,18)(H,16,17)
InChIKey
ACCSYBVIBBQVQD-UHFFFAOYSA-N
Compound name
N-(1,5-diamino-1-oxopentan-2-yl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21033 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.21761 167.5
[M+Na]+ 280.19955 169.1
[M-H]- 256.20305 165.5
[M+NH4]+ 275.24415 182.6
[M+K]+ 296.17349 167.6
[M+H-H2O]+ 240.20759 160.2
[M+HCOO]- 302.20853 188.6
[M+CH3COO]- 316.22418 206.2
[M+Na-2H]- 278.18500 165.5
[M]+ 257.20978 166.2
[M]- 257.21088 166.2
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.