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

8
Patents

213.09358 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10086 144.9
[M+Na]+ 236.08280 150.6
[M-H]- 212.08630 146.2
[M+NH4]+ 231.12740 162.1
[M+K]+ 252.05674 151.2
[M+H-H2O]+ 196.09084 137.7
[M+HCOO]- 258.09178 158.1
[M+CH3COO]- 272.10743 155.5
[M+Na-2H]- 234.06825 145.8
[M]+ 213.09303 140.4
[M]- 213.09413 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.