CID 88324

19975-56-5

Structural Information

Molecular Formula
C4H7NS2
SMILES
CSC1=NCCS1
InChI
InChI=1S/C4H7NS2/c1-6-4-5-2-3-7-4/h2-3H2,1H3
InChIKey
QFGRBBWYHIYNIB-UHFFFAOYSA-N
Compound name
2-methylsulfanyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

541
Patents

133.002 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.009276 122.1
[M+Na]+ 155.991218 131.8
[M-H]- 131.994724 124.9
[M+NH4]+ 151.035823 145.6
[M+K]+ 171.965158 129.7
[M+H-H2O]+ 115.999260 117.1
[M+HCOO]- 178.000201 135.5
[M+CH3COO]- 192.015851 168.0
[M+Na-2H]- 153.976666 123.2
[M]+ 133.00145142 123.3
[M]- 133.00254858 123.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe