CID 57419481

1-(aminomethyl)-5-bromo-2,3-dihydro-1h-inden-1-ol

Structural Information

Molecular Formula
C10H12BrNO
SMILES
C1CC(C2=C1C=C(C=C2)Br)(CN)O
InChI
InChI=1S/C10H12BrNO/c11-8-1-2-9-7(5-8)3-4-10(9,13)6-12/h1-2,5,13H,3-4,6,12H2
InChIKey
RZJKEXLZOYPNSM-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-5-bromo-2,3-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

241.01022 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 147.4
[M+Na]+ 263.999438 159.2
[M-H]- 240.002944 153.1
[M+NH4]+ 259.044043 172.2
[M+K]+ 279.973378 147.0
[M+H-H2O]+ 224.007480 148.4
[M+HCOO]- 286.008421 167.4
[M+CH3COO]- 300.024071 187.7
[M+Na-2H]- 261.984886 154.0
[M]+ 241.00967142 163.4
[M]- 241.01076858 163.4
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

patents stripe