CID 116885288

2613383-60-9

Structural Information

Molecular Formula
C14H18N2S
SMILES
CC1=C(SC(=N1)C(C)C)C2=CC=C(C=C2)CN
InChI
InChI=1S/C14H18N2S/c1-9(2)14-16-10(3)13(17-14)12-6-4-11(8-15)5-7-12/h4-7,9H,8,15H2,1-3H3
InChIKey
MDTWIKROSITRLO-UHFFFAOYSA-N
Compound name
[4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.126336 156.5
[M+Na]+ 269.108278 165.3
[M-H]- 245.111784 162.3
[M+NH4]+ 264.152883 175.1
[M+K]+ 285.082218 160.6
[M+H-H2O]+ 229.116320 149.5
[M+HCOO]- 291.117261 174.7
[M+CH3COO]- 305.132911 196.7
[M+Na-2H]- 267.093726 155.2
[M]+ 246.11851142 158.2
[M]- 246.11960858 158.2
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

No patent data available for this compound.