CID 22326320

2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC(C2=CC=CC=C2C1)C(C(=O)O)N
InChI
InChI=1S/C12H15NO2/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7,13H2,(H,14,15)
InChIKey
QRDRVXBAMXIQMZ-UHFFFAOYSA-N
Compound name
2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

205.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.7
[M+Na]+ 228.09950 149.5
[M-H]- 204.10300 146.7
[M+NH4]+ 223.14410 163.2
[M+K]+ 244.07344 146.7
[M+H-H2O]+ 188.10754 138.8
[M+HCOO]- 250.10848 162.8
[M+CH3COO]- 264.12413 186.4
[M+Na-2H]- 226.08495 148.3
[M]+ 205.10973 139.3
[M]- 205.11083 139.3
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

patents stripe