CID 146096762

2411315-45-0

Structural Information

Molecular Formula
C14H17NO2
SMILES
COC(=O)C1=CC2=C(C=C1)C3(CCCC3)CN2
InChI
InChI=1S/C14H17NO2/c1-17-13(16)10-4-5-11-12(8-10)15-9-14(11)6-2-3-7-14/h4-5,8,15H,2-3,6-7,9H2,1H3
InChIKey
OGWZAFGCSCHRHT-UHFFFAOYSA-N
Compound name
methyl spiro[1,2-dihydroindole-3,1'-cyclopentane]-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 155.3
[M+Na]+ 254.11515 162.2
[M-H]- 230.11865 159.1
[M+NH4]+ 249.15975 177.9
[M+K]+ 270.08909 158.4
[M+H-H2O]+ 214.12319 149.3
[M+HCOO]- 276.12413 173.5
[M+CH3COO]- 290.13978 167.0
[M+Na-2H]- 252.10060 157.1
[M]+ 231.12538 152.0
[M]- 231.12648 152.0
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.