CID 517708

78218-24-3

Structural Information

Molecular Formula
C3H10N2S
SMILES
C(C(CS)N)N
InChI
InChI=1S/C3H10N2S/c4-1-3(5)2-6/h3,6H,1-2,4-5H2
InChIKey
KFCAJDUOSGKVSB-UHFFFAOYSA-N
Compound name
2,3-diaminopropane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

106.05647 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06375 119.9
[M+Na]+ 129.04569 126.3
[M-H]- 105.04919 119.5
[M+NH4]+ 124.09029 142.2
[M+K]+ 145.01963 125.1
[M+H-H2O]+ 89.053730 114.7
[M+HCOO]- 151.05467 138.5
[M+CH3COO]- 165.07032 171.1
[M+Na-2H]- 127.03114 122.1
[M]+ 106.05592 117.6
[M]- 106.05702 117.6
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