CID 3058780

2-methyl-2-(3-methylbutyl)-1,3-thiazolidine

Structural Information

Molecular Formula
C9H19NS
SMILES
CC(C)CCC1(NCCS1)C
InChI
InChI=1S/C9H19NS/c1-8(2)4-5-9(3)10-6-7-11-9/h8,10H,4-7H2,1-3H3
InChIKey
JNVZGMFOXVEVSD-UHFFFAOYSA-N
Compound name
2-methyl-2-(3-methylbutyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12383 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.131106 140.3
[M+Na]+ 196.113048 146.2
[M-H]- 172.116554 140.7
[M+NH4]+ 191.157653 163.0
[M+K]+ 212.086988 144.1
[M+H-H2O]+ 156.121090 135.4
[M+HCOO]- 218.122031 153.6
[M+CH3COO]- 232.137681 176.5
[M+Na-2H]- 194.098496 140.4
[M]+ 173.12328142 138.8
[M]- 173.12437858 138.8
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.