CID 3058791

75606-61-0

Structural Information

Molecular Formula
C10H19NS
SMILES
CC1(NCCS1)CCCCC=C
InChI
InChI=1S/C10H19NS/c1-3-4-5-6-7-10(2)11-8-9-12-10/h3,11H,1,4-9H2,2H3
InChIKey
LDYYISQCYJWBKR-UHFFFAOYSA-N
Compound name
2-hex-5-enyl-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.12383 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.13111 143.2
[M+Na]+ 208.11305 149.2
[M-H]- 184.11655 143.4
[M+NH4]+ 203.15765 165.3
[M+K]+ 224.08699 145.8
[M+H-H2O]+ 168.12109 138.0
[M+HCOO]- 230.12203 157.5
[M+CH3COO]- 244.13768 177.8
[M+Na-2H]- 206.09850 143.9
[M]+ 185.12328 141.9
[M]- 185.12438 141.9
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.