CID 15321812

1-(bromomethyl)-3,5,7-trimethyladamantane

Structural Information

Molecular Formula
C14H23Br
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)CBr)C)C
InChI
InChI=1S/C14H23Br/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10-15/h4-10H2,1-3H3
InChIKey
LGMYLERUTRMOFY-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,5,7-trimethyladamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0983 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10558 161.9
[M+Na]+ 293.08752 170.0
[M-H]- 269.09102 161.1
[M+NH4]+ 288.13212 193.5
[M+K]+ 309.06146 158.7
[M+H-H2O]+ 253.09556 161.1
[M+HCOO]- 315.09650 167.1
[M+CH3COO]- 329.11215 172.8
[M+Na-2H]- 291.07297 174.0
[M]+ 270.09775 180.7
[M]- 270.09885 180.7
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.