CID 22978922

1-(4-bromophenyl)-n-methylcyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12BrN
SMILES
CNC1(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H12BrN/c1-12-10(6-7-10)8-2-4-9(11)5-3-8/h2-5,12H,6-7H2,1H3
InChIKey
NZZRQTKSKHTOLN-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-N-methylcyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

225.0153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 139.7
[M+Na]+ 248.00452 152.4
[M-H]- 224.00802 149.9
[M+NH4]+ 243.04912 158.6
[M+K]+ 263.97846 141.6
[M+H-H2O]+ 208.01256 139.8
[M+HCOO]- 270.01350 162.7
[M+CH3COO]- 284.02915 191.5
[M+Na-2H]- 245.98997 149.3
[M]+ 225.01475 159.0
[M]- 225.01585 159.0
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