CID 3059983

77529-12-5

Structural Information

Molecular Formula
C12H20N2S
SMILES
CC1=NC2=C(S1)CCC(C2)CNC(C)C
InChI
InChI=1S/C12H20N2S/c1-8(2)13-7-10-4-5-12-11(6-10)14-9(3)15-12/h8,10,13H,4-7H2,1-3H3
InChIKey
AWBBKHADPLLIMG-UHFFFAOYSA-N
Compound name
N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 151.2
[M+Na]+ 247.12394 157.9
[M-H]- 223.12744 154.1
[M+NH4]+ 242.16854 171.8
[M+K]+ 263.09788 154.7
[M+H-H2O]+ 207.13198 145.1
[M+HCOO]- 269.13292 166.1
[M+CH3COO]- 283.14857 192.7
[M+Na-2H]- 245.10939 151.5
[M]+ 224.13417 151.4
[M]- 224.13527 151.4
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.