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]+ 185.074306 135.9
[M+Na]+ 207.056248 143.9
[M-H]- 183.059754 139.2
[M+NH4]+ 202.100853 156.3
[M+K]+ 223.030188 142.2
[M+H-H2O]+ 167.064290 130.2
[M+HCOO]- 229.065231 152.1
[M+CH3COO]- 243.080881 148.9
[M+Na-2H]- 205.041696 139.9
[M]+ 184.06648142 135.9
[M]- 184.06757858 135.9
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.