CID 215686

36067-83-1

Structural Information

Molecular Formula
C9H15N3OS
SMILES
C1CN(CCC2=C1N=C(S2)N)CCO
InChI
InChI=1S/C9H15N3OS/c10-9-11-7-1-3-12(5-6-13)4-2-8(7)14-9/h13H,1-6H2,(H2,10,11)
InChIKey
KVJFXKYWTONAPH-UHFFFAOYSA-N
Compound name
2-(2-amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

213.09358 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.100856 144.9
[M+Na]+ 236.082798 150.6
[M-H]- 212.086304 146.2
[M+NH4]+ 231.127403 162.1
[M+K]+ 252.056738 151.2
[M+H-H2O]+ 196.090840 137.7
[M+HCOO]- 258.091781 158.1
[M+CH3COO]- 272.107431 155.5
[M+Na-2H]- 234.068246 145.8
[M]+ 213.09303142 140.4
[M]- 213.09412858 140.4
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.