CID 80134204

2309460-92-0

Structural Information

Molecular Formula
C9H12ClNS
SMILES
CNC1CC(C1)C2=CC=C(S2)Cl
InChI
InChI=1S/C9H12ClNS/c1-11-7-4-6(5-7)8-2-3-9(10)12-8/h2-3,6-7,11H,4-5H2,1H3
InChIKey
GUAIXJCOMOTNNH-UHFFFAOYSA-N
Compound name
3-(5-chlorothiophen-2-yl)-N-methylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0379 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04518 133.4
[M+Na]+ 224.02712 140.6
[M+NH4]+ 219.07172 140.0
[M+K]+ 240.00106 135.6
[M-H]- 200.03062 135.1
[M+Na-2H]- 222.01257 137.8
[M]+ 201.03735 134.4
[M]- 201.03845 134.4
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.