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 143.9
[M+Na]+ 227.06133 158.3
[M+NH4]+ 222.10593 154.7
[M+K]+ 243.03527 151.6
[M-H]- 203.06483 155.3
[M+Na-2H]- 225.04678 154.2
[M]+ 204.07156 150.8
[M]- 204.07266 150.8
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.