CID 3067802

Cm 40418

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CCCNC(=O)CCCNC(=O)CC(C)C
InChI
InChI=1S/C12H24N2O2/c1-4-7-13-11(15)6-5-8-14-12(16)9-10(2)3/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKey
WVRGZVRHMXFFRO-UHFFFAOYSA-N
Compound name
3-methyl-N-[4-oxo-4-(propylamino)butyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 159.7
[M+Na]+ 251.17300 162.7
[M-H]- 227.17650 159.1
[M+NH4]+ 246.21760 177.1
[M+K]+ 267.14694 162.0
[M+H-H2O]+ 211.18104 153.2
[M+HCOO]- 273.18198 181.4
[M+CH3COO]- 287.19763 198.5
[M+Na-2H]- 249.15845 160.1
[M]+ 228.18323 160.9
[M]- 228.18433 160.9
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.