CID 16494972

(2-tert-butyl-1,3-thiazol-4-yl)methanol

Structural Information

Molecular Formula
C8H13NOS
SMILES
CC(C)(C)C1=NC(=CS1)CO
InChI
InChI=1S/C8H13NOS/c1-8(2,3)7-9-6(4-10)5-11-7/h5,10H,4H2,1-3H3
InChIKey
CRHNCEYQZMSPQA-UHFFFAOYSA-N
Compound name
(2-tert-butyl-1,3-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

171.0718 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07908 137.4
[M+Na]+ 194.06102 146.6
[M-H]- 170.06452 139.2
[M+NH4]+ 189.10562 158.9
[M+K]+ 210.03496 144.4
[M+H-H2O]+ 154.06906 132.5
[M+HCOO]- 216.07000 153.8
[M+CH3COO]- 230.08565 175.1
[M+Na-2H]- 192.04647 139.8
[M]+ 171.07125 139.9
[M]- 171.07235 139.9
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