CID 54207309

Benzyl 2-amino-2-cyclopropylacetate hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CC1C(C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C12H15NO2/c13-11(10-6-7-10)12(14)15-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2
InChIKey
NDUPTNITUSFMPF-UHFFFAOYSA-N
Compound name
benzyl 2-amino-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

205.11028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 142.8
[M+Na]+ 228.09950 149.8
[M-H]- 204.10300 149.6
[M+NH4]+ 223.14410 156.2
[M+K]+ 244.07344 147.1
[M+H-H2O]+ 188.10754 135.8
[M+HCOO]- 250.10848 166.1
[M+CH3COO]- 264.12413 190.3
[M+Na-2H]- 226.08495 147.1
[M]+ 205.10973 144.1
[M]- 205.11083 144.1
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