CID 3067805

Cm 40467

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.191056 159.7
[M+Na]+ 251.172998 162.7
[M-H]- 227.176504 159.1
[M+NH4]+ 246.217603 177.1
[M+K]+ 267.146938 162.0
[M+H-H2O]+ 211.181040 153.2
[M+HCOO]- 273.181981 181.4
[M+CH3COO]- 287.197631 198.5
[M+Na-2H]- 249.158446 160.1
[M]+ 228.18323142 160.9
[M]- 228.18432858 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.