CID 97852

Thiazole, 4,5-dihydro-2,5-dimethyl-

Structural Information

Molecular Formula
C5H9NS
SMILES
CC1CN=C(S1)C
InChI
InChI=1S/C5H9NS/c1-4-3-6-5(2)7-4/h4H,3H2,1-2H3
InChIKey
QURBTAPQPXENJD-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
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 120.2
[M+Na]+ 138.03479 129.8
[M-H]- 114.03829 123.3
[M+NH4]+ 133.07939 144.5
[M+K]+ 154.00873 128.8
[M+H-H2O]+ 98.042830 115.1
[M+HCOO]- 160.04377 138.9
[M+CH3COO]- 174.05942 167.5
[M+Na-2H]- 136.02024 122.8
[M]+ 115.04502 121.3
[M]- 115.04612 121.3
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