CID 3067788

Cm 40404

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CCCCNC(=O)C(C)CCNC(=O)CCC
InChI
InChI=1S/C13H26N2O2/c1-4-6-9-15-13(17)11(3)8-10-14-12(16)7-5-2/h11H,4-10H2,1-3H3,(H,14,16)(H,15,17)
InChIKey
HXLDUVJCVGTDSY-UHFFFAOYSA-N
Compound name
4-(butanoylamino)-N-butyl-2-methylbutanamide
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 164.3
[M+Na]+ 265.188648 166.8
[M-H]- 241.192154 163.4
[M+NH4]+ 260.233253 181.1
[M+K]+ 281.162588 165.9
[M+H-H2O]+ 225.196690 157.6
[M+HCOO]- 287.197631 185.6
[M+CH3COO]- 301.213281 201.5
[M+Na-2H]- 263.174096 164.1
[M]+ 242.19888142 165.8
[M]- 242.19997858 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.