CID 43560510

1-(bromomethyl)-4-(cyclopropylmethoxy)benzene

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CC1COC2=CC=C(C=C2)CBr
InChI
InChI=1S/C11H13BrO/c12-7-9-3-5-11(6-4-9)13-8-10-1-2-10/h3-6,10H,1-2,7-8H2
InChIKey
MYJTZWMOPZETNU-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(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]+ 241.02226 145.4
[M+Na]+ 263.00420 158.0
[M-H]- 239.00770 155.3
[M+NH4]+ 258.04880 162.4
[M+K]+ 278.97814 146.9
[M+H-H2O]+ 223.01224 144.7
[M+HCOO]- 285.01318 167.7
[M+CH3COO]- 299.02883 192.1
[M+Na-2H]- 260.98965 153.2
[M]+ 240.01443 166.5
[M]- 240.01553 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