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]+ 200.14675 147.7
[M+Na]+ 222.12869 153.4
[M-H]- 198.13219 147.7
[M+NH4]+ 217.17329 169.3
[M+K]+ 238.10263 149.8
[M+H-H2O]+ 182.13673 142.4
[M+HCOO]- 244.13767 161.7
[M+CH3COO]- 258.15332 180.1
[M+Na-2H]- 220.11414 147.9
[M]+ 199.13892 146.7
[M]- 199.14002 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.