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

74
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 146.5
[M+Na]+ 237.06527 156.2
[M+NH4]+ 232.10987 160.7
[M+K]+ 253.03921 145.2
[M-H]- 213.06877 144.0
[M+Na-2H]- 235.05072 145.1
[M]+ 214.07550 147.7
[M]- 214.07660 147.7
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

patents stripe