CID 66023672

1484158-01-1

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]+ 241.022256 144.5
[M+Na]+ 263.004198 157.3
[M-H]- 239.007704 153.5
[M+NH4]+ 258.048803 162.6
[M+K]+ 278.978138 146.2
[M+H-H2O]+ 223.012240 145.2
[M+HCOO]- 285.013181 165.1
[M+CH3COO]- 299.028831 189.3
[M+Na-2H]- 260.989646 152.9
[M]+ 240.01443142 164.5
[M]- 240.01552858 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.