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

31
Patents

205.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 144.7
[M+Na]+ 228.099498 149.5
[M-H]- 204.103004 146.7
[M+NH4]+ 223.144103 163.2
[M+K]+ 244.073438 146.7
[M+H-H2O]+ 188.107540 138.8
[M+HCOO]- 250.108481 162.8
[M+CH3COO]- 264.124131 186.4
[M+Na-2H]- 226.084946 148.3
[M]+ 205.10973142 139.3
[M]- 205.11082858 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