CID 60671725

N-[(1,3-benzothiazol-2-yl)methyl]cyclopropanamine

Structural Information

Molecular Formula
C11H12N2S
SMILES
C1CC1NCC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C11H12N2S/c1-2-4-10-9(3-1)13-11(14-10)7-12-8-5-6-8/h1-4,8,12H,5-7H2
InChIKey
GCWLXPWZFXOBII-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.07211 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07939 137.1
[M+Na]+ 227.06133 148.7
[M-H]- 203.06483 144.7
[M+NH4]+ 222.10593 153.6
[M+K]+ 243.03527 143.7
[M+H-H2O]+ 187.06937 130.6
[M+HCOO]- 249.07031 158.5
[M+CH3COO]- 263.08596 151.0
[M+Na-2H]- 225.04678 143.2
[M]+ 204.07156 142.3
[M]- 204.07266 142.3
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.