CID 3087732

116112-95-9

Structural Information

Molecular Formula
C7H15NOS
SMILES
CC1(NCCS1)C(C)(C)O
InChI
InChI=1S/C7H15NOS/c1-6(2,9)7(3)8-4-5-10-7/h8-9H,4-5H2,1-3H3
InChIKey
KFULKRDVSWFGKR-UHFFFAOYSA-N
Compound name
2-(2-methyl-1,3-thiazolidin-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08743 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.094706 136.2
[M+Na]+ 184.076648 143.1
[M-H]- 160.080154 135.7
[M+NH4]+ 179.121253 158.7
[M+K]+ 200.050588 140.9
[M+H-H2O]+ 144.084690 132.4
[M+HCOO]- 206.085631 148.4
[M+CH3COO]- 220.101281 169.3
[M+Na-2H]- 182.062096 139.0
[M]+ 161.08688142 133.7
[M]- 161.08797858 133.7
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.