CID 79857093

1-{4,4-dimethyl-4h,5h,6h-cyclopenta[d][1,3]thiazol-2-yl}methanamine dihydrochloride

Structural Information

Molecular Formula
C9H14N2S
SMILES
CC1(CCC2=C1N=C(S2)CN)C
InChI
InChI=1S/C9H14N2S/c1-9(2)4-3-6-8(9)11-7(5-10)12-6/h3-5,10H2,1-2H3
InChIKey
SEJXYMKNTFZBAU-UHFFFAOYSA-N
Compound name
(4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09505 137.9
[M+Na]+ 205.07699 148.2
[M-H]- 181.08049 141.6
[M+NH4]+ 200.12159 163.9
[M+K]+ 221.05093 145.4
[M+H-H2O]+ 165.08503 133.5
[M+HCOO]- 227.08597 156.5
[M+CH3COO]- 241.10162 152.0
[M+Na-2H]- 203.06244 139.7
[M]+ 182.08722 139.4
[M]- 182.08832 139.4
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.