CID 36971

3-chloroadamantane-1-carboxylic acid

Structural Information

Molecular Formula
C11H15ClO2
SMILES
C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)O
InChI
InChI=1S/C11H15ClO2/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
GMOBHRQSNDDZAD-UHFFFAOYSA-N
Compound name
3-chloroadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

86
Patents

214.07605 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08333 149.5
[M+Na]+ 237.06527 154.1
[M-H]- 213.06877 144.2
[M+NH4]+ 232.10987 177.1
[M+K]+ 253.03921 149.4
[M+H-H2O]+ 197.07331 145.4
[M+HCOO]- 259.07425 151.1
[M+CH3COO]- 273.08990 158.6
[M+Na-2H]- 235.05072 160.3
[M]+ 214.07550 150.8
[M]- 214.07660 150.8
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