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]+ 231.095046 150.4
[M+Na]+ 253.076988 160.7
[M-H]- 229.080494 157.6
[M+NH4]+ 248.121593 172.6
[M+K]+ 269.050928 156.1
[M+H-H2O]+ 213.085030 144.7
[M+HCOO]- 275.085971 169.6
[M+CH3COO]- 289.101621 164.0
[M+Na-2H]- 251.062436 150.4
[M]+ 230.08722142 151.2
[M]- 230.08831858 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.