CID 113528

N-hex-5-enyladipamide

Structural Information

Molecular Formula
C12H22N2O2
SMILES
C=CCCCCNC(=O)CCCCC(=O)N
InChI
InChI=1S/C12H22N2O2/c1-2-3-4-7-10-14-12(16)9-6-5-8-11(13)15/h2H,1,3-10H2,(H2,13,15)(H,14,16)
InChIKey
DIFFWVVIHKVXDB-UHFFFAOYSA-N
Compound name
N'-hex-5-enylhexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 157.4
[M+Na]+ 249.157338 160.8
[M-H]- 225.160844 156.1
[M+NH4]+ 244.201943 174.5
[M+K]+ 265.131278 158.6
[M+H-H2O]+ 209.165380 150.9
[M+HCOO]- 271.166321 179.7
[M+CH3COO]- 285.181971 196.8
[M+Na-2H]- 247.142786 158.1
[M]+ 226.16757142 157.6
[M]- 226.16866858 157.6
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.