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]+ 162.09471 136.2
[M+Na]+ 184.07665 143.1
[M-H]- 160.08015 135.7
[M+NH4]+ 179.12125 158.7
[M+K]+ 200.05059 140.9
[M+H-H2O]+ 144.08469 132.4
[M+HCOO]- 206.08563 148.4
[M+CH3COO]- 220.10128 169.3
[M+Na-2H]- 182.06210 139.0
[M]+ 161.08688 133.7
[M]- 161.08798 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.