CID 45096028

165315-71-9

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC(C)C1=CN=C(S1)CO
InChI
InChI=1S/C7H11NOS/c1-5(2)6-3-8-7(4-9)10-6/h3,5,9H,4H2,1-2H3
InChIKey
XODKQYZRBFCYEY-UHFFFAOYSA-N
Compound name
(5-propan-2-yl-1,3-thiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.05614 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06342 132.0
[M+Na]+ 180.04536 140.9
[M-H]- 156.04886 133.7
[M+NH4]+ 175.08996 153.7
[M+K]+ 196.01930 138.9
[M+H-H2O]+ 140.05340 126.7
[M+HCOO]- 202.05434 149.1
[M+CH3COO]- 216.06999 173.2
[M+Na-2H]- 178.03081 133.0
[M]+ 157.05559 134.0
[M]- 157.05669 134.0
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