CID 8878238

4-(2,3-dihydro-1h-inden-5-yl)-5-methyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C13H14N2S
SMILES
CC1=C(N=C(S1)N)C2=CC3=C(CCC3)C=C2
InChI
InChI=1S/C13H14N2S/c1-8-12(15-13(14)16-8)11-6-5-9-3-2-4-10(9)7-11/h5-7H,2-4H2,1H3,(H2,14,15)
InChIKey
PIHSKMPOPWHJCA-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.08777 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09505 150.4
[M+Na]+ 253.07699 160.7
[M-H]- 229.08049 157.6
[M+NH4]+ 248.12159 172.6
[M+K]+ 269.05093 156.1
[M+H-H2O]+ 213.08503 144.7
[M+HCOO]- 275.08597 169.6
[M+CH3COO]- 289.10162 164.0
[M+Na-2H]- 251.06244 150.4
[M]+ 230.08722 151.2
[M]- 230.08832 151.2
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.