CID 521011

63182-88-7

Structural Information

Molecular Formula
C9H11NS
SMILES
CN=C(C1=CC=CC=C1)SC
InChI
InChI=1S/C9H11NS/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
PCHKPGSXUAGLCS-UHFFFAOYSA-N
Compound name
methyl N-methylbenzenecarboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.06122 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 133.4
[M+Na]+ 188.05044 140.9
[M-H]- 164.05394 138.7
[M+NH4]+ 183.09504 155.2
[M+K]+ 204.02438 138.8
[M+H-H2O]+ 148.05848 127.3
[M+HCOO]- 210.05942 154.4
[M+CH3COO]- 224.07507 181.3
[M+Na-2H]- 186.03589 137.9
[M]+ 165.06067 135.2
[M]- 165.06177 135.2
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.