CID 3067799

Cm 40254

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CCCCNC(=O)CCCNC(=O)C(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-5-6-9-14-11(16)8-7-10-15-12(17)13(2,3)4/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKey
RFABBNWPAVYPNQ-UHFFFAOYSA-N
Compound name
N-[4-(butylamino)-4-oxobutyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 163.1
[M+Na]+ 265.18865 166.5
[M-H]- 241.19215 162.6
[M+NH4]+ 260.23325 180.3
[M+K]+ 281.16259 165.5
[M+H-H2O]+ 225.19669 157.2
[M+HCOO]- 287.19763 184.1
[M+CH3COO]- 301.21328 200.2
[M+Na-2H]- 263.17410 165.2
[M]+ 242.19888 164.8
[M]- 242.19998 164.8
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.