CID 3058780

75606-50-7

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]+ 174.13111 140.3
[M+Na]+ 196.11305 146.2
[M-H]- 172.11655 140.7
[M+NH4]+ 191.15765 163.0
[M+K]+ 212.08699 144.1
[M+H-H2O]+ 156.12109 135.4
[M+HCOO]- 218.12203 153.6
[M+CH3COO]- 232.13768 176.5
[M+Na-2H]- 194.09850 140.4
[M]+ 173.12328 138.8
[M]- 173.12438 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.