CID 480043

S-ethyl mercapto 4,5-thiazoline

Structural Information

Molecular Formula
C5H9NS2
SMILES
CCSC1=CSCN1
InChI
InChI=1S/C5H9NS2/c1-2-8-5-3-7-4-6-5/h3,6H,2,4H2,1H3
InChIKey
LUSKZLQCLQXBEV-UHFFFAOYSA-N
Compound name
4-ethylsulfanyl-2,3-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.01764 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.02492 126.4
[M+Na]+ 170.00686 135.0
[M-H]- 146.01036 127.4
[M+NH4]+ 165.05146 148.4
[M+K]+ 185.98080 131.6
[M+H-H2O]+ 130.01490 121.3
[M+HCOO]- 192.01584 137.9
[M+CH3COO]- 206.03149 168.9
[M+Na-2H]- 167.99231 126.6
[M]+ 147.01709 126.1
[M]- 147.01819 126.1
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

No patent data available for this compound.