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]+ 243.20671 162.9
[M+Na]+ 265.18865 166.1
[M-H]- 241.19215 162.3
[M+NH4]+ 260.23325 179.9
[M+K]+ 281.16259 165.2
[M+H-H2O]+ 225.19669 156.9
[M+HCOO]- 287.19763 183.8
[M+CH3COO]- 301.21328 200.9
[M+Na-2H]- 263.17410 164.9
[M]+ 242.19888 164.7
[M]- 242.19998 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.