CID 3610307

3-(adamantan-1-yl)-3-aminopropanoic acid hydrochloride

Structural Information

Molecular Formula
C13H21NO2
SMILES
C1C2CC3CC1CC(C2)(C3)C(CC(=O)O)N
InChI
InChI=1S/C13H21NO2/c14-11(4-12(15)16)13-5-8-1-9(6-13)3-10(2-8)7-13/h8-11H,1-7,14H2,(H,15,16)
InChIKey
AMRNUEMIMYEDBK-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-3-aminopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.15723 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 150.6
[M+Na]+ 246.14645 157.0
[M+NH4]+ 241.19105 162.1
[M+K]+ 262.12039 149.6
[M-H]- 222.14995 147.7
[M+Na-2H]- 244.13190 146.2
[M]+ 223.15668 150.5
[M]- 223.15778 150.5
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

patents stripe