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]+ 225.141996 151.2
[M+Na]+ 247.123938 157.9
[M-H]- 223.127444 154.1
[M+NH4]+ 242.168543 171.8
[M+K]+ 263.097878 154.7
[M+H-H2O]+ 207.131980 145.1
[M+HCOO]- 269.132921 166.1
[M+CH3COO]- 283.148571 192.7
[M+Na-2H]- 245.109386 151.5
[M]+ 224.13417142 151.4
[M]- 224.13526858 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.