CID 12364

Adipamide

Structural Information

Molecular Formula
C6H12N2O2
SMILES
C(CCC(=O)N)CC(=O)N
InChI
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChIKey
GVNWZKBFMFUVNX-UHFFFAOYSA-N
Compound name
hexanediamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13
References

29199
Patents

144.08987 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.8
[M+Na]+ 167.079088 137.3
[M-H]- 143.082594 131.0
[M+NH4]+ 162.123693 151.8
[M+K]+ 183.053028 136.9
[M+H-H2O]+ 127.087130 126.2
[M+HCOO]- 189.088071 155.1
[M+CH3COO]- 203.103721 179.5
[M+Na-2H]- 165.064536 134.4
[M]+ 144.08932142 129.4
[M]- 144.09041858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe