CID 43632386

2193052-01-4

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1C(CC1N)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H12BrN/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8,10H,5-6,12H2
InChIKey
LQLSFITUIQFMQG-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 134.9
[M+Na]+ 248.00452 144.3
[M-H]- 224.00802 143.4
[M+NH4]+ 243.04912 150.3
[M+K]+ 263.97846 136.0
[M+H-H2O]+ 208.01256 129.6
[M+HCOO]- 270.01350 155.3
[M+CH3COO]- 284.02915 192.0
[M+Na-2H]- 245.98997 141.5
[M]+ 225.01475 157.6
[M]- 225.01585 157.6
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.