CID 64354

2-aminoadamantane-2-carboxylic acid

Structural Information

Molecular Formula
C11H17NO2
SMILES
C1C2CC3CC1CC(C2)C3(C(=O)O)N
InChI
InChI=1S/C11H17NO2/c12-11(10(13)14)8-2-6-1-7(4-8)5-9(11)3-6/h6-9H,1-5,12H2,(H,13,14)
InChIKey
WQMQRNCPZFUGID-UHFFFAOYSA-N
Compound name
2-aminoadamantane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

203
Patents

195.12593 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 145.2
[M+Na]+ 218.11515 147.7
[M-H]- 194.11865 139.1
[M+NH4]+ 213.15975 170.4
[M+K]+ 234.08909 144.9
[M+H-H2O]+ 178.12319 140.5
[M+HCOO]- 240.12413 151.2
[M+CH3COO]- 254.13978 153.8
[M+Na-2H]- 216.10060 154.8
[M]+ 195.12538 143.1
[M]- 195.12648 143.1
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.