CID 81096559

2-(bromomethyl)adamantane

Structural Information

Molecular Formula
C11H17Br
SMILES
C1C2CC3CC1CC(C2)C3CBr
InChI
InChI=1S/C11H17Br/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-11H,1-6H2
InChIKey
VPQAXRZNMVVHPJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

228.05136 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05864 150.1
[M+Na]+ 251.04058 155.6
[M-H]- 227.04408 148.7
[M+NH4]+ 246.08518 176.4
[M+K]+ 267.01452 145.6
[M+H-H2O]+ 211.04862 150.8
[M+HCOO]- 273.04956 156.4
[M+CH3COO]- 287.06521 160.9
[M+Na-2H]- 249.02603 160.3
[M]+ 228.05081 166.5
[M]- 228.05191 166.5
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

patents stripe