CID 429462

1-bromo-3-methyladamantane

Structural Information

Molecular Formula
C11H17Br
SMILES
CC12CC3CC(C1)CC(C3)(C2)Br
InChI
InChI=1S/C11H17Br/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7H2,1H3
InChIKey
MXAYGTASSPYUJB-UHFFFAOYSA-N
Compound name
1-bromo-3-methyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

228.05136 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05864 150.4
[M+Na]+ 251.04058 157.4
[M-H]- 227.04408 149.4
[M+NH4]+ 246.08518 180.1
[M+K]+ 267.01452 146.9
[M+H-H2O]+ 211.04862 150.5
[M+HCOO]- 273.04956 156.7
[M+CH3COO]- 287.06521 161.7
[M+Na-2H]- 249.02603 162.6
[M]+ 228.05081 167.4
[M]- 228.05191 167.4
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