CID 165744997

2803863-92-3

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1(CC(C1)CC2=CC=CC=C2)N
InChI
InChI=1S/C13H17NO2/c1-16-12(15)13(14)8-11(9-13)7-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3
InChIKey
VCTPDXBYDKMQEQ-UHFFFAOYSA-N
Compound name
methyl 1-amino-3-benzylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.8
[M+Na]+ 242.11515 158.3
[M+NH4]+ 237.15975 157.2
[M+K]+ 258.08909 152.4
[M-H]- 218.11865 152.4
[M+Na-2H]- 240.10060 157.1
[M]+ 219.12538 151.7
[M]- 219.12648 151.7
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

No patent data available for this compound.