CID 64415631

1339116-07-2

Structural Information

Molecular Formula
C10H16N2S
SMILES
CC1(CCC2=C(C1)SC(=N2)CN)C
InChI
InChI=1S/C10H16N2S/c1-10(2)4-3-7-8(5-10)13-9(6-11)12-7/h3-6,11H2,1-2H3
InChIKey
DUOZXXLFTUAWAL-UHFFFAOYSA-N
Compound name
(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10342 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.110696 141.0
[M+Na]+ 219.092638 149.8
[M-H]- 195.096144 143.9
[M+NH4]+ 214.137243 164.6
[M+K]+ 235.066578 146.5
[M+H-H2O]+ 179.100680 135.9
[M+HCOO]- 241.101621 157.1
[M+CH3COO]- 255.117271 154.0
[M+Na-2H]- 217.078086 143.9
[M]+ 196.10287142 140.5
[M]- 196.10396858 140.5
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.