CID 3056262

73636-92-7

Structural Information

Molecular Formula
C8H14NS
SMILES
CC1=CC=C(S1)[N+](C)(C)C
InChI
InChI=1S/C8H14NS/c1-7-5-6-8(10-7)9(2,3)4/h5-6H,1-4H3/q+1
InChIKey
JQYMSJCBYFPWHY-UHFFFAOYSA-N
Compound name
trimethyl-(5-methylthiophen-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

156.0847 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09198 128.5
[M+Na]+ 179.07392 137.5
[M-H]- 155.07742 134.7
[M+NH4]+ 174.11852 152.8
[M+K]+ 195.04786 131.0
[M+H-H2O]+ 139.08196 126.5
[M+HCOO]- 201.08290 149.3
[M+CH3COO]- 215.09855 174.9
[M+Na-2H]- 177.05937 134.9
[M]+ 156.08415 130.1
[M]- 156.08525 130.1
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

patents stripe