CID 465395

3,6-diaminohexanamide

Structural Information

Molecular Formula
C6H15N3O
SMILES
C(CC(CC(=O)N)N)CN
InChI
InChI=1S/C6H15N3O/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H2,9,10)
InChIKey
YHADRABFJIUKLA-UHFFFAOYSA-N
Compound name
3,6-diaminohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

145.1215 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.12878 134.0
[M+Na]+ 168.11072 138.4
[M-H]- 144.11422 132.6
[M+NH4]+ 163.15532 153.4
[M+K]+ 184.08466 137.8
[M+H-H2O]+ 128.11876 127.9
[M+HCOO]- 190.11970 157.2
[M+CH3COO]- 204.13535 182.9
[M+Na-2H]- 166.09617 135.7
[M]+ 145.12095 129.0
[M]- 145.12205 129.0
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

No patent data available for this compound.