CID 53439346

2,5-dimethylhexanediamide

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(CCC(C)C(=O)N)C(=O)N
InChI
InChI=1S/C8H16N2O2/c1-5(7(9)11)3-4-6(2)8(10)12/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKey
IZGRKRRSFLAQCP-UHFFFAOYSA-N
Compound name
2,5-dimethylhexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 142.1
[M+Na]+ 195.110408 146.4
[M-H]- 171.113914 141.1
[M+NH4]+ 190.155013 160.9
[M+K]+ 211.084348 146.5
[M+H-H2O]+ 155.118450 136.4
[M+HCOO]- 217.119391 162.8
[M+CH3COO]- 231.135041 187.5
[M+Na-2H]- 193.095856 141.1
[M]+ 172.12064142 139.2
[M]- 172.12173858 139.2
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.