CID 3948276

(4-bromophenyl)(cyclopropyl)methanamine

Structural Information

Molecular Formula
C10H12BrN
SMILES
C1CC1C(C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C10H12BrN/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10H,1-2,12H2
InChIKey
CFTNYXDVHSKCKL-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-cyclopropylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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 140.5
[M+Na]+ 248.004518 152.3
[M-H]- 224.008024 150.0
[M+NH4]+ 243.049123 157.3
[M+K]+ 263.978458 140.5
[M+H-H2O]+ 208.012560 139.6
[M+HCOO]- 270.013501 162.3
[M+CH3COO]- 284.029151 192.0
[M+Na-2H]- 245.989966 147.1
[M]+ 225.01475142 157.8
[M]- 225.01584858 157.8
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