CID 137965972

1-(5,6-dihydro-4h-1,3-thiazin-2-yl)azetidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C7H13N3S
SMILES
C1CN=C(SC1)N2CC(C2)N
InChI
InChI=1S/C7H13N3S/c8-6-4-10(5-6)7-9-2-1-3-11-7/h6H,1-5,8H2
InChIKey
DDCIQHLICXRMKW-UHFFFAOYSA-N
Compound name
1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08302 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 131.0
[M+Na]+ 194.07224 135.5
[M-H]- 170.07574 133.6
[M+NH4]+ 189.11684 142.0
[M+K]+ 210.04618 136.2
[M+H-H2O]+ 154.08028 117.5
[M+HCOO]- 216.08122 144.1
[M+CH3COO]- 230.09687 181.4
[M+Na-2H]- 192.05769 133.3
[M]+ 171.08247 134.8
[M]- 171.08357 134.8
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

No patent data available for this compound.