CID 43179928

168475-83-0

Structural Information

Molecular Formula
C11H14BrNO
SMILES
C1CC(OC1)CNC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H14BrNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h3-6,11,13H,1-2,7-8H2
InChIKey
XVAFMXUEHRLQRH-UHFFFAOYSA-N
Compound name
4-bromo-N-(oxolan-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02588 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03316 153.1
[M+Na]+ 278.01510 162.0
[M-H]- 254.01860 162.2
[M+NH4]+ 273.05970 173.5
[M+K]+ 293.98904 152.1
[M+H-H2O]+ 238.02314 152.4
[M+HCOO]- 300.02408 174.1
[M+CH3COO]- 314.03973 191.4
[M+Na-2H]- 276.00055 159.3
[M]+ 255.02533 169.4
[M]- 255.02643 169.4
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

No patent data available for this compound.