CID 3050569

2,2-dimethyl-3-thiazoline

Structural Information

Molecular Formula
C5H9NS
SMILES
CC1(N=CCS1)C
InChI
InChI=1S/C5H9NS/c1-5(2)6-3-4-7-5/h3H,4H2,1-2H3
InChIKey
PHNGUPTZRBWMMJ-UHFFFAOYSA-N
Compound name
2,2-dimethyl-5H-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

115.04557 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.05285 119.5
[M+Na]+ 138.03479 129.0
[M-H]- 114.03829 122.5
[M+NH4]+ 133.07939 145.4
[M+K]+ 154.00873 128.2
[M+H-H2O]+ 98.042830 115.0
[M+HCOO]- 160.04377 138.2
[M+CH3COO]- 174.05942 166.1
[M+Na-2H]- 136.02024 124.1
[M]+ 115.04502 120.5
[M]- 115.04612 120.5
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