CID 3058776

75606-42-7

Structural Information

Molecular Formula
C12H23NS
SMILES
CC(CCC=C(C)C)CC1NCCS1
InChI
InChI=1S/C12H23NS/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-13H,4,6-9H2,1-3H3
InChIKey
OCSCKACVZOUIFF-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.15512 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.162396 154.8
[M+Na]+ 236.144338 158.7
[M-H]- 212.147844 154.6
[M+NH4]+ 231.188943 173.8
[M+K]+ 252.118278 155.5
[M+H-H2O]+ 196.152380 148.5
[M+HCOO]- 258.153321 166.3
[M+CH3COO]- 272.168971 185.2
[M+Na-2H]- 234.129786 150.8
[M]+ 213.15457142 152.6
[M]- 213.15566858 152.6
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.