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

47
Patents

241.01022 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 147.4
[M+Na]+ 263.99944 159.2
[M-H]- 240.00294 153.1
[M+NH4]+ 259.04404 172.2
[M+K]+ 279.97338 147.0
[M+H-H2O]+ 224.00748 148.4
[M+HCOO]- 286.00842 167.4
[M+CH3COO]- 300.02407 187.7
[M+Na-2H]- 261.98489 154.0
[M]+ 241.00967 163.4
[M]- 241.01077 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