CID 3067801

Cm 40417

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CCCCNC(=O)CCCNC(=O)CC(C)C
InChI
InChI=1S/C13H26N2O2/c1-4-5-8-14-12(16)7-6-9-15-13(17)10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKey
DNIGMEYBBRIQHX-UHFFFAOYSA-N
Compound name
N-[4-(butylamino)-4-oxobutyl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 164.3
[M+Na]+ 265.18865 166.8
[M-H]- 241.19215 163.4
[M+NH4]+ 260.23325 181.1
[M+K]+ 281.16259 165.9
[M+H-H2O]+ 225.19669 157.6
[M+HCOO]- 287.19763 185.6
[M+CH3COO]- 301.21328 201.5
[M+Na-2H]- 263.17410 164.1
[M]+ 242.19888 165.8
[M]- 242.19998 165.8
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.