CID 22676819

1-(bromomethyl)-3-(cyclopropylmethoxy)benzene

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CC1COC2=CC=CC(=C2)CBr
InChI
InChI=1S/C11H13BrO/c12-7-10-2-1-3-11(6-10)13-8-9-4-5-9/h1-3,6,9H,4-5,7-8H2
InChIKey
HYOWMVLUILREMH-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-(cyclopropylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.01498 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.022256 145.4
[M+Na]+ 263.004198 158.0
[M-H]- 239.007704 155.3
[M+NH4]+ 258.048803 162.4
[M+K]+ 278.978138 146.9
[M+H-H2O]+ 223.012240 144.7
[M+HCOO]- 285.013181 167.7
[M+CH3COO]- 299.028831 192.1
[M+Na-2H]- 260.989646 153.2
[M]+ 240.01443142 166.5
[M]- 240.01552858 166.5
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