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

32
Patents

225.0153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.022576 145.6
[M+Na]+ 248.004518 157.1
[M-H]- 224.008024 152.3
[M+NH4]+ 243.049123 169.9
[M+K]+ 263.978458 145.2
[M+H-H2O]+ 208.012560 145.9
[M+HCOO]- 270.013501 166.9
[M+CH3COO]- 284.029151 188.6
[M+Na-2H]- 245.989966 151.5
[M]+ 225.01475142 161.6
[M]- 225.01584858 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