CID 63623459

N-(4-bromo-2-methylphenyl)oxetan-3-amine

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CC1=C(C=CC(=C1)Br)NC2COC2
InChI
InChI=1S/C10H12BrNO/c1-7-4-8(11)2-3-10(7)12-9-5-13-6-9/h2-4,9,12H,5-6H2,1H3
InChIKey
OEEIWCCPKPNQOP-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

241.01022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.017496 135.9
[M+Na]+ 263.999438 145.2
[M-H]- 240.002944 145.5
[M+NH4]+ 259.044043 149.8
[M+K]+ 279.973378 138.8
[M+H-H2O]+ 224.007480 130.4
[M+HCOO]- 286.008421 156.3
[M+CH3COO]- 300.024071 194.4
[M+Na-2H]- 261.984886 144.4
[M]+ 241.00967142 161.5
[M]- 241.01076858 161.5
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