CID 45496802

4,4-dimethyl-4h,5h,6h-cyclopenta[d][1,3]thiazol-2-amine

Structural Information

Molecular Formula
C8H12N2S
SMILES
CC1(CCC2=C1N=C(S2)N)C
InChI
InChI=1S/C8H12N2S/c1-8(2)4-3-5-6(8)10-7(9)11-5/h3-4H2,1-2H3,(H2,9,10)
InChIKey
MARLCVHEFBWNER-UHFFFAOYSA-N
Compound name
4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07211 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 133.4
[M+Na]+ 191.06133 144.2
[M-H]- 167.06483 137.3
[M+NH4]+ 186.10593 160.1
[M+K]+ 207.03527 141.7
[M+H-H2O]+ 151.06937 129.3
[M+HCOO]- 213.07031 152.4
[M+CH3COO]- 227.08596 148.1
[M+Na-2H]- 189.04678 135.8
[M]+ 168.07156 134.6
[M]- 168.07266 134.6
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.