CID 146096253

2411295-11-7

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1(CC2=C(C1N)C=CC(=C2)C(=O)OC)C
InChI
InChI=1S/C13H17NO2/c1-13(2)7-9-6-8(12(15)16-3)4-5-10(9)11(13)14/h4-6,11H,7,14H2,1-3H3
InChIKey
YAHIYZHOSQKOSM-UHFFFAOYSA-N
Compound name
methyl 1-amino-2,2-dimethyl-1,3-dihydroindene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.0
[M+Na]+ 242.11515 159.7
[M+NH4]+ 237.15975 158.9
[M+K]+ 258.08909 153.9
[M-H]- 218.11865 151.1
[M+Na-2H]- 240.10060 154.3
[M]+ 219.12538 151.1
[M]- 219.12648 151.1
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.