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]+ 198.09471 141.8
[M+Na]+ 220.07665 150.3
[M-H]- 196.08015 143.7
[M+NH4]+ 215.12125 163.1
[M+K]+ 236.05059 146.3
[M+H-H2O]+ 180.08469 136.6
[M+HCOO]- 242.08563 156.4
[M+CH3COO]- 256.10128 179.7
[M+Na-2H]- 218.06210 143.2
[M]+ 197.08688 141.5
[M]- 197.08798 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.