CID 135801631

Methylthio-pam-2

Structural Information

Molecular Formula
C8H11N2OS
SMILES
C[N+]1=CC=CC=C1/C(=N/O)/SC
InChI
InChI=1S/C8H10N2OS/c1-10-6-4-3-5-7(10)8(9-11)12-2/h3-6H,1-2H3/p+1
InChIKey
IUHGEJZFSFTRAW-UHFFFAOYSA-O
Compound name
methyl (2Z)-N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0592 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06648 135.2
[M+Na]+ 206.04842 143.3
[M-H]- 182.05192 138.3
[M+NH4]+ 201.09302 154.1
[M+K]+ 222.02236 135.3
[M+H-H2O]+ 166.05646 131.5
[M+HCOO]- 228.05740 153.6
[M+CH3COO]- 242.07305 174.4
[M+Na-2H]- 204.03387 141.5
[M]+ 183.05865 135.4
[M]- 183.05975 135.4
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.