CID 135445

2-isobutylthiazolidine

Structural Information

Molecular Formula
C7H15NS
SMILES
CC(C)CC1NCCS1
InChI
InChI=1S/C7H15NS/c1-6(2)5-7-8-3-4-9-7/h6-8H,3-5H2,1-2H3
InChIKey
OLVZVPBWPSBRNF-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

145.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09979 133.0
[M+Na]+ 168.08173 138.9
[M-H]- 144.08523 133.5
[M+NH4]+ 163.12633 154.7
[M+K]+ 184.05567 137.1
[M+H-H2O]+ 128.08977 127.4
[M+HCOO]- 190.09071 146.9
[M+CH3COO]- 204.10636 170.9
[M+Na-2H]- 166.06718 132.6
[M]+ 145.09196 130.4
[M]- 145.09306 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe