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 155.3
[M+Na]+ 249.10320 162.6
[M-H]- 225.10670 160.1
[M+NH4]+ 244.14780 180.2
[M+K]+ 265.07714 163.0
[M+H-H2O]+ 209.11124 152.1
[M+HCOO]- 271.11218 169.0
[M+CH3COO]- 285.12783 167.9
[M+Na-2H]- 247.08865 153.1
[M]+ 226.11343 157.5
[M]- 226.11453 157.5
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.