CID 51089

70548-53-7

Structural Information

Molecular Formula
C6H16N2S
SMILES
C(CCN)CC(CS)N
InChI
InChI=1S/C6H16N2S/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2
InChIKey
ONDNDTMAYANFKN-UHFFFAOYSA-N
Compound name
2,6-diaminohexane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

148.10342 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.11070 133.0
[M+Na]+ 171.09264 138.2
[M-H]- 147.09614 132.0
[M+NH4]+ 166.13724 153.6
[M+K]+ 187.06658 136.2
[M+H-H2O]+ 131.10068 127.2
[M+HCOO]- 193.10162 150.7
[M+CH3COO]- 207.11727 180.2
[M+Na-2H]- 169.07809 133.7
[M]+ 148.10287 131.9
[M]- 148.10397 131.9
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