CID 67023940

(5-bromo-2,3-dihydro-1h-inden-1-yl)methanamine

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC2=C(C1CN)C=CC(=C2)Br
InChI
InChI=1S/C10H12BrN/c11-9-3-4-10-7(5-9)1-2-8(10)6-12/h3-5,8H,1-2,6,12H2
InChIKey
VWQZJOMQTCXOCG-UHFFFAOYSA-N
Compound name
(5-bromo-2,3-dihydro-1H-inden-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

225.0153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 145.6
[M+Na]+ 248.00452 157.1
[M-H]- 224.00802 152.3
[M+NH4]+ 243.04912 169.9
[M+K]+ 263.97846 145.2
[M+H-H2O]+ 208.01256 145.9
[M+HCOO]- 270.01350 166.9
[M+CH3COO]- 284.02915 188.6
[M+Na-2H]- 245.98997 151.5
[M]+ 225.01475 161.6
[M]- 225.01585 161.6
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

patents stripe