CID 59927

105310-32-5

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCOC(=O)[C@@]1(C[C@H]1CN)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-2-16-12(15)13(8-11(13)9-14)10-6-4-3-5-7-10/h3-7,11H,2,8-9,14H2,1H3/t11-,13-/m0/s1
InChIKey
GGBNYUVTPJJNRX-AAEUAGOBSA-N
Compound name
ethyl (1R,2R)-2-(aminomethyl)-1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 148.1
[M+Na]+ 242.11515 156.6
[M-H]- 218.11865 155.3
[M+NH4]+ 237.15975 163.2
[M+K]+ 258.08909 154.1
[M+H-H2O]+ 202.12319 142.2
[M+HCOO]- 264.12413 171.6
[M+CH3COO]- 278.13978 193.0
[M+Na-2H]- 240.10060 153.3
[M]+ 219.12538 151.2
[M]- 219.12648 151.2
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

No patent data available for this compound.