CID 60198109

1032564-18-3

Structural Information

Molecular Formula
C12H19NO3
SMILES
C1C2CC3(CC1CC(C2)(C3)O)NCC(=O)O
InChI
InChI=1S/C12H19NO3/c14-10(15)6-13-11-2-8-1-9(3-11)5-12(16,4-8)7-11/h8-9,13,16H,1-7H2,(H,14,15)
InChIKey
FSZTVAMKEHAGGP-UHFFFAOYSA-N
Compound name
2-[(3-hydroxy-1-adamantyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.13649 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 151.1
[M+Na]+ 248.12571 157.4
[M+NH4]+ 243.17031 163.5
[M+K]+ 264.09965 148.2
[M-H]- 224.12921 147.5
[M+Na-2H]- 246.11116 148.0
[M]+ 225.13594 150.9
[M]- 225.13704 150.9
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.