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]+ 226.022576 139.7
[M+Na]+ 248.004518 152.4
[M-H]- 224.008024 149.9
[M+NH4]+ 243.049123 158.6
[M+K]+ 263.978458 141.6
[M+H-H2O]+ 208.012560 139.8
[M+HCOO]- 270.013501 162.7
[M+CH3COO]- 284.029151 191.5
[M+Na-2H]- 245.989966 149.3
[M]+ 225.01475142 159.0
[M]- 225.01584858 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