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 135.9
[M+Na]+ 207.05625 143.9
[M-H]- 183.05975 139.2
[M+NH4]+ 202.10085 156.3
[M+K]+ 223.03019 142.2
[M+H-H2O]+ 167.06429 130.2
[M+HCOO]- 229.06523 152.1
[M+CH3COO]- 243.08088 148.9
[M+Na-2H]- 205.04170 139.9
[M]+ 184.06648 135.9
[M]- 184.06758 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.