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 148.8
[M+Na]+ 242.11515 157.7
[M-H]- 218.11865 153.5
[M+NH4]+ 237.15975 172.2
[M+K]+ 258.08909 155.1
[M+H-H2O]+ 202.12319 144.1
[M+HCOO]- 264.12413 171.2
[M+CH3COO]- 278.13978 191.7
[M+Na-2H]- 240.10060 152.0
[M]+ 219.12538 149.4
[M]- 219.12648 149.4
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.