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

literature stripe

Patent stripe

patents stripe