CID 117894

26934-29-2

Structural Information

Molecular Formula
C5H10NS
SMILES
CC1=[N+](CCS1)C
InChI
InChI=1S/C5H10NS/c1-5-6(2)3-4-7-5/h3-4H2,1-2H3/q+1
InChIKey
VZBHHTMAQQFWAP-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

116.0534 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.06068 119.1
[M+Na]+ 139.04262 128.6
[M-H]- 115.04612 122.5
[M+NH4]+ 134.08722 143.0
[M+K]+ 155.01656 122.3
[M+H-H2O]+ 99.050660 116.8
[M+HCOO]- 161.05160 137.6
[M+CH3COO]- 175.06725 161.2
[M+Na-2H]- 137.02807 124.1
[M]+ 116.05285 118.6
[M]- 116.05395 118.6
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