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

35
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 124.1
[M+Na]+ 158.00686 131.4
[M-H]- 134.01036 126.9
[M+NH4]+ 153.05146 147.7
[M+K]+ 173.98080 128.7
[M+H-H2O]+ 118.01490 119.1
[M+HCOO]- 180.01584 137.2
[M+CH3COO]- 194.03149 170.3
[M+Na-2H]- 155.99231 124.1
[M]+ 135.01709 121.6
[M]- 135.01819 121.6
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