CID 82622112

1-(4-bromo-2-methoxyphenyl)cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12BrNO
SMILES
COC1=C(C=CC(=C1)Br)C2(CC2)N
InChI
InChI=1S/C10H12BrNO/c1-13-9-6-7(11)2-3-8(9)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKey
RARMMFISYIGKBM-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-methoxyphenyl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 143.0
[M+Na]+ 263.99944 156.4
[M-H]- 240.00294 153.0
[M+NH4]+ 259.04404 161.3
[M+K]+ 279.97338 145.4
[M+H-H2O]+ 224.00748 143.1
[M+HCOO]- 286.00842 165.4
[M+CH3COO]- 300.02407 193.6
[M+Na-2H]- 261.98489 150.9
[M]+ 241.00967 163.1
[M]- 241.01077 163.1
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.