CID 3040237

(2-methyl-1,3-thiazolidin-2-yl)methanol

Structural Information

Molecular Formula
C5H11NOS
SMILES
CC1(NCCS1)CO
InChI
InChI=1S/C5H11NOS/c1-5(4-7)6-2-3-8-5/h6-7H,2-4H2,1H3
InChIKey
INLBSGLZAXEXKR-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-thiazolidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

133.05614 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.063416 126.5
[M+Na]+ 156.045358 133.9
[M-H]- 132.048864 126.1
[M+NH4]+ 151.089963 150.0
[M+K]+ 172.019298 131.8
[M+H-H2O]+ 116.053400 122.4
[M+HCOO]- 178.054341 140.9
[M+CH3COO]- 192.069991 163.0
[M+Na-2H]- 154.030806 129.4
[M]+ 133.05559142 123.7
[M]- 133.05668858 123.7
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

patents stripe