CID 132398941

2171576-81-9

Structural Information

Molecular Formula
C13H15NO2
SMILES
COC(=O)C1C2=CC=CC=C2C3(CC3)CN1
InChI
InChI=1S/C13H15NO2/c1-16-12(15)11-9-4-2-3-5-10(9)13(6-7-13)8-14-11/h2-5,11,14H,6-8H2,1H3
InChIKey
NFXFNLIAROAQKH-UHFFFAOYSA-N
Compound name
methyl spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 152.8
[M+Na]+ 240.09950 161.9
[M-H]- 216.10300 157.3
[M+NH4]+ 235.14410 167.8
[M+K]+ 256.07344 158.1
[M+H-H2O]+ 200.10754 146.3
[M+HCOO]- 262.10848 169.9
[M+CH3COO]- 276.12413 164.1
[M+Na-2H]- 238.08495 159.2
[M]+ 217.10973 152.8
[M]- 217.11083 152.8
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.