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]+ 183.095046 137.9
[M+Na]+ 205.076988 148.2
[M-H]- 181.080494 141.6
[M+NH4]+ 200.121593 163.9
[M+K]+ 221.050928 145.4
[M+H-H2O]+ 165.085030 133.5
[M+HCOO]- 227.085971 156.5
[M+CH3COO]- 241.101621 152.0
[M+Na-2H]- 203.062436 139.7
[M]+ 182.08722142 139.4
[M]- 182.08831858 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.