CID 45074057

Methyl 2-amino-2,3-dihydro-1h-indene-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC(=O)C1(CC2=CC=CC=C2C1)N
InChI
InChI=1S/C11H13NO2/c1-14-10(13)11(12)6-8-4-2-3-5-9(8)7-11/h2-5H,6-7,12H2,1H3
InChIKey
UVMXRCKHFMQNJZ-UHFFFAOYSA-N
Compound name
methyl 2-amino-1,3-dihydroindene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

191.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.0
[M+Na]+ 214.08386 149.0
[M-H]- 190.08736 145.3
[M+NH4]+ 209.12846 164.9
[M+K]+ 230.05780 146.7
[M+H-H2O]+ 174.09190 136.0
[M+HCOO]- 236.09284 164.2
[M+CH3COO]- 250.10849 183.3
[M+Na-2H]- 212.06931 146.5
[M]+ 191.09409 140.1
[M]- 191.09519 140.1
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