CID 67798

6-aminohexanamide

Structural Information

Molecular Formula
C6H14N2O
SMILES
C(CCC(=O)N)CCN
InChI
InChI=1S/C6H14N2O/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H2,8,9)
InChIKey
ZLHYDRXTDZFRDZ-UHFFFAOYSA-N
Compound name
6-aminohexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1392
Patents

130.11061 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.11789 129.6
[M+Na]+ 153.09983 135.2
[M-H]- 129.10333 128.8
[M+NH4]+ 148.14443 150.5
[M+K]+ 169.07377 134.4
[M+H-H2O]+ 113.10787 124.2
[M+HCOO]- 175.10881 153.6
[M+CH3COO]- 189.12446 177.4
[M+Na-2H]- 151.08528 133.6
[M]+ 130.11006 127.2
[M]- 130.11116 127.2
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