CID 3157067

2-(adamantan-1-yl)-2-aminoacetic acid

Structural Information

Molecular Formula
C12H19NO2
SMILES
C1C2CC3CC1CC(C2)(C3)C(C(=O)O)N
InChI
InChI=1S/C12H19NO2/c13-10(11(14)15)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-10H,1-6,13H2,(H,14,15)
InChIKey
NJRFVURYVWPLKB-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-2-aminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

209.14159 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 150.1
[M+Na]+ 232.13081 150.9
[M-H]- 208.13431 143.3
[M+NH4]+ 227.17541 174.2
[M+K]+ 248.10475 148.3
[M+H-H2O]+ 192.13885 145.1
[M+HCOO]- 254.13979 154.7
[M+CH3COO]- 268.15544 157.7
[M+Na-2H]- 230.11626 158.5
[M]+ 209.14104 147.2
[M]- 209.14214 147.2
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.