CID 2835354

75667-94-6

Structural Information

Molecular Formula
C12H19NO2
SMILES
C1C2CC3(CC1CC(C2)(C3)N)CC(=O)O
InChI
InChI=1S/C12H19NO2/c13-12-4-8-1-9(5-12)3-11(2-8,7-12)6-10(14)15/h8-9H,1-7,13H2,(H,14,15)
InChIKey
YNPWECOFXFMAHU-UHFFFAOYSA-N
Compound name
2-(3-amino-1-adamantyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

17
Patents

209.14159 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 151.1
[M+Na]+ 232.13081 153.6
[M-H]- 208.13431 144.7
[M+NH4]+ 227.17541 177.3
[M+K]+ 248.10475 150.2
[M+H-H2O]+ 192.13885 145.7
[M+HCOO]- 254.13979 156.7
[M+CH3COO]- 268.15544 159.2
[M+Na-2H]- 230.11626 161.5
[M]+ 209.14104 149.3
[M]- 209.14214 149.3
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.