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]+ 256.033156 153.1
[M+Na]+ 278.015098 162.0
[M-H]- 254.018604 162.2
[M+NH4]+ 273.059703 173.5
[M+K]+ 293.989038 152.1
[M+H-H2O]+ 238.023140 152.4
[M+HCOO]- 300.024081 174.1
[M+CH3COO]- 314.039731 191.4
[M+Na-2H]- 276.000546 159.3
[M]+ 255.02533142 169.4
[M]- 255.02642858 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.