CID 47002971

6-propyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-one

Structural Information

Molecular Formula
C10H15NOS
SMILES
CCCC1CCC2=C(C1)SC(=O)N2
InChI
InChI=1S/C10H15NOS/c1-2-3-7-4-5-8-9(6-7)13-10(12)11-8/h7H,2-6H2,1H3,(H,11,12)
InChIKey
XWYBQVCMRZXNOH-UHFFFAOYSA-N
Compound name
6-propyl-4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.094706 141.8
[M+Na]+ 220.076648 150.3
[M-H]- 196.080154 143.7
[M+NH4]+ 215.121253 163.1
[M+K]+ 236.050588 146.3
[M+H-H2O]+ 180.084690 136.6
[M+HCOO]- 242.085631 156.4
[M+CH3COO]- 256.101281 179.7
[M+Na-2H]- 218.062096 143.2
[M]+ 197.08688142 141.5
[M]- 197.08797858 141.5
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.