CID 3087737

5-methyl-2-nonylthiazolidine

Structural Information

Molecular Formula
C13H27NS
SMILES
CCCCCCCCCC1NCC(S1)C
InChI
InChI=1S/C13H27NS/c1-3-4-5-6-7-8-9-10-13-14-11-12(2)15-13/h12-14H,3-11H2,1-2H3
InChIKey
JZNKHQKLZXYVQN-UHFFFAOYSA-N
Compound name
5-methyl-2-nonyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18642 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.19370 158.0
[M+Na]+ 252.17564 162.5
[M-H]- 228.17914 157.7
[M+NH4]+ 247.22024 176.8
[M+K]+ 268.14958 158.7
[M+H-H2O]+ 212.18368 151.5
[M+HCOO]- 274.18462 171.0
[M+CH3COO]- 288.20027 189.2
[M+Na-2H]- 250.16109 155.2
[M]+ 229.18587 158.6
[M]- 229.18697 158.6
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.