CID 11607920

Lysol

Structural Information

Molecular Formula
C6H16N2O
SMILES
C(CCN)C[C@@H](CO)N
InChI
InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1
InChIKey
LTGPFZWZZNUIIK-LURJTMIESA-N
Compound name
(2S)-2,6-diaminohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

4234
Patents

132.12627 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.13355 131.4
[M+Na]+ 155.11549 136.2
[M-H]- 131.11899 129.1
[M+NH4]+ 150.16009 151.5
[M+K]+ 171.08943 135.2
[M+H-H2O]+ 115.12353 126.1
[M+HCOO]- 177.12447 153.6
[M+CH3COO]- 191.14012 175.8
[M+Na-2H]- 153.10094 134.8
[M]+ 132.12572 127.8
[M]- 132.12682 127.8
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