CID 12372267

(1,3-dithiolan-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C4H9NS2
SMILES
C1CSC(S1)CN
InChI
InChI=1S/C4H9NS2/c5-3-4-6-1-2-7-4/h4H,1-3,5H2
InChIKey
HXKZAVMODXTMAI-UHFFFAOYSA-N
Compound name
1,3-dithiolan-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

135.01764 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.02492 123.7
[M+Na]+ 158.00686 131.8
[M+NH4]+ 153.05146 134.0
[M+K]+ 173.98080 124.4
[M-H]- 134.01036 126.4
[M+Na-2H]- 155.99231 127.1
[M]+ 135.01709 126.3
[M]- 135.01819 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe