CID 304353

73986-89-7

Structural Information

Molecular Formula
C11H18N2OS
SMILES
CN(C)C(=S)N1CC2C3CCC(C2C1)O3
InChI
InChI=1S/C11H18N2OS/c1-12(2)11(15)13-5-7-8(6-13)10-4-3-9(7)14-10/h7-10H,3-6H2,1-2H3
InChIKey
QMCICVXIQRDSTA-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11398 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12126 152.3
[M+Na]+ 249.10320 158.5
[M+NH4]+ 244.14780 161.8
[M+K]+ 265.07714 157.5
[M-H]- 225.10670 153.9
[M+Na-2H]- 247.08865 150.4
[M]+ 226.11343 153.7
[M]- 226.11453 153.7
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.