CID 95913778

(1r)-1-(1,2-thiazol-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C5H7NOS
SMILES
C[C@H](C1=CC=NS1)O
InChI
InChI=1S/C5H7NOS/c1-4(7)5-2-3-6-8-5/h2-4,7H,1H3/t4-/m1/s1
InChIKey
IBQOBJBPEDHKFL-SCSAIBSYSA-N
Compound name
(1R)-1-(1,2-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

129.02484 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.032116 123.6
[M+Na]+ 152.014058 132.4
[M-H]- 128.017564 125.3
[M+NH4]+ 147.058663 146.1
[M+K]+ 167.987998 131.0
[M+H-H2O]+ 112.022100 118.3
[M+HCOO]- 174.023041 141.4
[M+CH3COO]- 188.038691 166.1
[M+Na-2H]- 149.999506 126.2
[M]+ 129.02429142 124.5
[M]- 129.02538858 124.5
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