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]+ 243.206706 163.1
[M+Na]+ 265.188648 166.5
[M-H]- 241.192154 162.6
[M+NH4]+ 260.233253 180.3
[M+K]+ 281.162588 165.5
[M+H-H2O]+ 225.196690 157.2
[M+HCOO]- 287.197631 184.1
[M+CH3COO]- 301.213281 200.2
[M+Na-2H]- 263.174096 165.2
[M]+ 242.19888142 164.8
[M]- 242.19997858 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.