CID 59314089

Ethyl 2-amino-5-chloro-2,3-dihydro-1h-indene-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
CCOC(=O)C1(CC2=C(C1)C=C(C=C2)Cl)N
InChI
InChI=1S/C12H14ClNO2/c1-2-16-11(15)12(14)6-8-3-4-10(13)5-9(8)7-12/h3-5H,2,6-7,14H2,1H3
InChIKey
YSKZOOQTXATSJP-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5-chloro-1,3-dihydroindene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.0713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 152.1
[M+Na]+ 262.06052 161.4
[M-H]- 238.06402 156.4
[M+NH4]+ 257.10512 175.3
[M+K]+ 278.03446 156.9
[M+H-H2O]+ 222.06856 148.0
[M+HCOO]- 284.06950 170.4
[M+CH3COO]- 298.08515 191.3
[M+Na-2H]- 260.04597 155.9
[M]+ 239.07075 154.1
[M]- 239.07185 154.1
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

patents stripe