CID 66023672

{1-[(3-bromophenyl)methyl]cyclopropyl}methanol

Structural Information

Molecular Formula
C11H13BrO
SMILES
C1CC1(CC2=CC(=CC=C2)Br)CO
InChI
InChI=1S/C11H13BrO/c12-10-3-1-2-9(6-10)7-11(8-13)4-5-11/h1-3,6,13H,4-5,7-8H2
InChIKey
NAOVHFCLYBKMDP-UHFFFAOYSA-N
Compound name
[1-[(3-bromophenyl)methyl]cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.01498 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02226 144.5
[M+Na]+ 263.00420 157.3
[M-H]- 239.00770 153.5
[M+NH4]+ 258.04880 162.6
[M+K]+ 278.97814 146.2
[M+H-H2O]+ 223.01224 145.2
[M+HCOO]- 285.01318 165.1
[M+CH3COO]- 299.02883 189.3
[M+Na-2H]- 260.98965 152.9
[M]+ 240.01443 164.5
[M]- 240.01553 164.5
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

No patent data available for this compound.