CID 43608928

2138022-11-2

Structural Information

Molecular Formula
C8H12N2OS
SMILES
C1COCC2=C1N=C(S2)CCN
InChI
InChI=1S/C8H12N2OS/c9-3-1-8-10-6-2-4-11-5-7(6)12-8/h1-5,9H2
InChIKey
RNHDUNRCXYJWED-UHFFFAOYSA-N
Compound name
2-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 136.9
[M+Na]+ 207.05625 147.2
[M+NH4]+ 202.10085 146.4
[M+K]+ 223.03019 141.3
[M-H]- 183.05975 140.5
[M+Na-2H]- 205.04170 140.5
[M]+ 184.06648 139.7
[M]- 184.06758 139.7
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.