CID 6447466

75606-57-4

Structural Information

Molecular Formula
C9H17NS
SMILES
C/C=C/CCC1(NCCS1)C
InChI
InChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3-4,10H,5-8H2,1-2H3/b4-3+
InChIKey
NUWRRQVAYLJYHI-ONEGZZNKSA-N
Compound name
2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.11545 139.2
[M+Na]+ 194.09739 145.7
[M-H]- 170.10089 139.6
[M+NH4]+ 189.14199 161.9
[M+K]+ 210.07133 142.6
[M+H-H2O]+ 154.10543 134.2
[M+HCOO]- 216.10637 153.8
[M+CH3COO]- 230.12202 174.1
[M+Na-2H]- 192.08284 140.3
[M]+ 171.10762 137.5
[M]- 171.10872 137.5
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.