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 134.2
[M+Na]+ 224.02712 141.4
[M-H]- 200.03062 141.0
[M+NH4]+ 219.07172 150.1
[M+K]+ 240.00106 139.9
[M+H-H2O]+ 184.03516 124.0
[M+HCOO]- 246.03610 148.9
[M+CH3COO]- 260.05175 187.5
[M+Na-2H]- 222.01257 135.3
[M]+ 201.03735 144.6
[M]- 201.03845 144.6
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.