CID 6447468

75606-67-6

Structural Information

Molecular Formula
C11H21NS
SMILES
CCC/C=C/CCC1(NCCS1)C
InChI
InChI=1S/C11H21NS/c1-3-4-5-6-7-8-11(2)12-9-10-13-11/h5-6,12H,3-4,7-10H2,1-2H3/b6-5+
InChIKey
VPGMNFFANPOGGC-AATRIKPKSA-N
Compound name
2-[(E)-hept-3-enyl]-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.13947 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.146746 147.7
[M+Na]+ 222.128688 153.4
[M-H]- 198.132194 147.7
[M+NH4]+ 217.173293 169.3
[M+K]+ 238.102628 149.8
[M+H-H2O]+ 182.136730 142.4
[M+HCOO]- 244.137671 161.7
[M+CH3COO]- 258.153321 180.1
[M+Na-2H]- 220.114136 147.9
[M]+ 199.13892142 146.7
[M]- 199.14001858 146.7
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.