CID 97727645

[1-(5-bromothiophen-2-yl)cyclobutyl]methanamine

Structural Information

Molecular Formula
C9H12BrNS
SMILES
C1CC(C1)(CN)C2=CC=C(S2)Br
InChI
InChI=1S/C9H12BrNS/c10-8-3-2-7(12-8)9(6-11)4-1-5-9/h2-3H,1,4-6,11H2
InChIKey
CAMGMECCFOKPBE-UHFFFAOYSA-N
Compound name
[1-(5-bromothiophen-2-yl)cyclobutyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.98738 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.994656 131.0
[M+Na]+ 267.976598 140.9
[M-H]- 243.980104 139.8
[M+NH4]+ 263.021203 149.5
[M+K]+ 283.950538 132.2
[M+H-H2O]+ 227.984640 127.1
[M+HCOO]- 289.985581 147.8
[M+CH3COO]- 304.001231 191.4
[M+Na-2H]- 265.962046 135.6
[M]+ 244.98683142 156.4
[M]- 244.98792858 156.4
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.