CID 30818

3-bromoadamantane-1-carboxylic acid

Structural Information

Molecular Formula
C11H15BrO2
SMILES
C1C2CC3(CC1CC(C2)(C3)Br)C(=O)O
InChI
InChI=1S/C11H15BrO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
InChIKey
DJUDQBVINJIMFO-UHFFFAOYSA-N
Compound name
3-bromoadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

218
Patents

258.02554 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03282 155.6
[M+Na]+ 281.01476 161.9
[M-H]- 257.01826 153.1
[M+NH4]+ 276.05936 183.3
[M+K]+ 296.98870 151.7
[M+H-H2O]+ 241.02280 156.4
[M+HCOO]- 303.02374 159.8
[M+CH3COO]- 317.03939 165.9
[M+Na-2H]- 279.00021 167.0
[M]+ 258.02499 172.7
[M]- 258.02609 172.7
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.