CID 54207309

Benzyl2-amino-2-cyclopropylacetatehydrochloride

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 147.3
[M+Na]+ 228.09950 159.2
[M+NH4]+ 223.14410 155.7
[M+K]+ 244.07344 155.1
[M-H]- 204.10300 157.1
[M+Na-2H]- 226.08495 156.3
[M]+ 205.10973 152.7
[M]- 205.11083 152.7
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