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]+ 205.079386 137.1
[M+Na]+ 227.061328 148.7
[M-H]- 203.064834 144.7
[M+NH4]+ 222.105933 153.6
[M+K]+ 243.035268 143.7
[M+H-H2O]+ 187.069370 130.6
[M+HCOO]- 249.070311 158.5
[M+CH3COO]- 263.085961 151.0
[M+Na-2H]- 225.046776 143.2
[M]+ 204.07156142 142.3
[M]- 204.07265858 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.