CID 3067798

Cm 40989

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CCCC(=O)NCCCC(=O)NC(C)(C)CC
InChI
InChI=1S/C13H26N2O2/c1-5-8-11(16)14-10-7-9-12(17)15-13(3,4)6-2/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKey
PHGSPVZMEYQHGD-UHFFFAOYSA-N
Compound name
4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 162.9
[M+Na]+ 265.188648 166.1
[M-H]- 241.192154 162.3
[M+NH4]+ 260.233253 179.9
[M+K]+ 281.162588 165.2
[M+H-H2O]+ 225.196690 156.9
[M+HCOO]- 287.197631 183.8
[M+CH3COO]- 301.213281 200.9
[M+Na-2H]- 263.174096 164.9
[M]+ 242.19888142 164.7
[M]- 242.19997858 164.7
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.