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

99
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

literature stripe

Patent stripe

patents stripe