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]+ 172.079076 137.4
[M+Na]+ 194.061018 146.6
[M-H]- 170.064524 139.2
[M+NH4]+ 189.105623 158.9
[M+K]+ 210.034958 144.4
[M+H-H2O]+ 154.069060 132.5
[M+HCOO]- 216.070001 153.8
[M+CH3COO]- 230.085651 175.1
[M+Na-2H]- 192.046466 139.8
[M]+ 171.07125142 139.9
[M]- 171.07234858 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