CID 95913778

2241107-61-7

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]+ 130.03212 123.6
[M+Na]+ 152.01406 132.4
[M-H]- 128.01756 125.3
[M+NH4]+ 147.05866 146.1
[M+K]+ 167.98800 131.0
[M+H-H2O]+ 112.02210 118.3
[M+HCOO]- 174.02304 141.4
[M+CH3COO]- 188.03869 166.1
[M+Na-2H]- 149.99951 126.2
[M]+ 129.02429 124.5
[M]- 129.02539 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