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]+ 242.01750 135.9
[M+Na]+ 263.99944 145.2
[M-H]- 240.00294 145.5
[M+NH4]+ 259.04404 149.8
[M+K]+ 279.97338 138.8
[M+H-H2O]+ 224.00748 130.4
[M+HCOO]- 286.00842 156.3
[M+CH3COO]- 300.02407 194.4
[M+Na-2H]- 261.98489 144.4
[M]+ 241.00967 161.5
[M]- 241.01077 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