CID 65013653

1-{[1-(bromomethyl)cyclopropyl]methoxy}-3-(methoxymethyl)benzene

Structural Information

Molecular Formula
C13H17BrO2
SMILES
COCC1=CC(=CC=C1)OCC2(CC2)CBr
InChI
InChI=1S/C13H17BrO2/c1-15-8-11-3-2-4-12(7-11)16-10-13(9-14)5-6-13/h2-4,7H,5-6,8-10H2,1H3
InChIKey
IXYNOSBWPWFXSV-UHFFFAOYSA-N
Compound name
1-[[1-(bromomethyl)cyclopropyl]methoxy]-3-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0412 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04848 157.0
[M+Na]+ 307.03042 169.3
[M-H]- 283.03392 166.8
[M+NH4]+ 302.07502 174.1
[M+K]+ 323.00436 159.0
[M+H-H2O]+ 267.03846 156.9
[M+HCOO]- 329.03940 178.4
[M+CH3COO]- 343.05505 198.8
[M+Na-2H]- 305.01587 164.7
[M]+ 284.04065 180.6
[M]- 284.04175 180.6
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.