CID 165690265

1-(bromomethyl)-4-cyclopropyl-2-methylbenzene

Structural Information

Molecular Formula
C11H13Br
SMILES
CC1=C(C=CC(=C1)C2CC2)CBr
InChI
InChI=1S/C11H13Br/c1-8-6-10(9-2-3-9)4-5-11(8)7-12/h4-6,9H,2-3,7H2,1H3
InChIKey
UGRHDSMKHXACLI-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-cyclopropyl-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 141.1
[M+Na]+ 247.00929 154.6
[M-H]- 223.01279 151.4
[M+NH4]+ 242.05389 159.0
[M+K]+ 262.98323 143.2
[M+H-H2O]+ 207.01733 140.8
[M+HCOO]- 269.01827 163.2
[M+CH3COO]- 283.03392 191.4
[M+Na-2H]- 244.99474 148.5
[M]+ 224.01952 161.2
[M]- 224.02062 161.2
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.