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]+ 225.027346 142.2
[M+Na]+ 247.009288 154.7
[M-H]- 223.012794 152.2
[M+NH4]+ 242.053893 161.3
[M+K]+ 262.983228 144.4
[M+H-H2O]+ 207.017330 142.6
[M+HCOO]- 269.018271 164.1
[M+CH3COO]- 283.033921 189.1
[M+Na-2H]- 244.994736 151.6
[M]+ 224.01952142 162.1
[M]- 224.02061858 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