CID 3960217

21077-81-6

Structural Information

Molecular Formula
C9H14NOS
SMILES
CN(C)[S+](=O)(C)C1=CC=CC=C1
InChI
InChI=1S/C9H14NOS/c1-10(2)12(3,11)9-7-5-4-6-8-9/h4-8H,1-3H3/q+1
InChIKey
OEUUYBYTSKLXRC-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0796 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08688 135.4
[M+Na]+ 207.06882 149.0
[M+NH4]+ 202.11342 145.8
[M+K]+ 223.04276 142.1
[M-H]- 183.07232 139.9
[M+Na-2H]- 205.05427 143.8
[M]+ 184.07905 139.5
[M]- 184.08015 139.5
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.