CID 59382362

863506-85-8

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CC1(CC2=CC=CC=C2)CBr
InChI
InChI=1S/C11H13Br/c12-9-11(6-7-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
OSVYORQGIOAUNT-UHFFFAOYSA-N
Compound name
[1-(bromomethyl)cyclopropyl]methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

224.02007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 142.2
[M+Na]+ 247.00929 154.7
[M-H]- 223.01279 152.2
[M+NH4]+ 242.05389 161.3
[M+K]+ 262.98323 144.4
[M+H-H2O]+ 207.01733 142.6
[M+HCOO]- 269.01827 164.1
[M+CH3COO]- 283.03392 189.1
[M+Na-2H]- 244.99474 151.6
[M]+ 224.01952 162.1
[M]- 224.02062 162.1
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