CID 673711

81529-61-5

Structural Information

Molecular Formula
C13H16N2S
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C13H16N2S/c1-13(2,3)10-6-4-9(5-7-10)11-8-16-12(14)15-11/h4-8H,1-3H3,(H2,14,15)
InChIKey
ABCNUVGFUGMTOA-UHFFFAOYSA-N
Compound name
4-(4-tert-butylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

91
Patents

232.10342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.110696 153.1
[M+Na]+ 255.092638 162.3
[M-H]- 231.096144 159.0
[M+NH4]+ 250.137243 172.3
[M+K]+ 271.066578 157.9
[M+H-H2O]+ 215.100680 146.6
[M+HCOO]- 277.101621 171.2
[M+CH3COO]- 291.117271 191.4
[M+Na-2H]- 253.078086 154.8
[M]+ 232.10287142 154.1
[M]- 232.10396858 154.1
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

patents stripe