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

literature stripe

Patent stripe

patents stripe