CID 503301

4-(1-adamantylmethyl)-2-chlorothiazole

Structural Information

Molecular Formula
C14H18ClNS
SMILES
C1C2CC3CC1CC(C2)(C3)CC4=CSC(=N4)Cl
InChI
InChI=1S/C14H18ClNS/c15-13-16-12(8-17-13)7-14-4-9-1-10(5-14)3-11(2-9)6-14/h8-11H,1-7H2
InChIKey
WPXSPOCEVBQWAB-UHFFFAOYSA-N
Compound name
4-(1-adamantylmethyl)-2-chloro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08484 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09212 157.4
[M+Na]+ 290.07406 162.5
[M-H]- 266.07756 154.8
[M+NH4]+ 285.11866 183.0
[M+K]+ 306.04800 157.7
[M+H-H2O]+ 250.08210 152.2
[M+HCOO]- 312.08304 156.8
[M+CH3COO]- 326.09869 166.4
[M+Na-2H]- 288.05951 164.5
[M]+ 267.08429 162.0
[M]- 267.08539 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.