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]+ 214.16240 154.8
[M+Na]+ 236.14434 158.7
[M-H]- 212.14784 154.6
[M+NH4]+ 231.18894 173.8
[M+K]+ 252.11828 155.5
[M+H-H2O]+ 196.15238 148.5
[M+HCOO]- 258.15332 166.3
[M+CH3COO]- 272.16897 185.2
[M+Na-2H]- 234.12979 150.8
[M]+ 213.15457 152.6
[M]- 213.15567 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.