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]+ 245.99466 131.0
[M+Na]+ 267.97660 140.9
[M-H]- 243.98010 139.8
[M+NH4]+ 263.02120 149.5
[M+K]+ 283.95054 132.2
[M+H-H2O]+ 227.98464 127.1
[M+HCOO]- 289.98558 147.8
[M+CH3COO]- 304.00123 191.4
[M+Na-2H]- 265.96205 135.6
[M]+ 244.98683 156.4
[M]- 244.98793 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.