CID 19828496

Methyl 2,3-dihydro-1h-isoindole-5-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC(=O)C1=CC2=C(CNC2)C=C1
InChI
InChI=1S/C10H11NO2/c1-13-10(12)7-2-3-8-5-11-6-9(8)4-7/h2-4,11H,5-6H2,1H3
InChIKey
RSBKALMWYNRSJK-UHFFFAOYSA-N
Compound name
methyl 2,3-dihydro-1H-isoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

177.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 137.1
[M+Na]+ 200.068198 144.9
[M-H]- 176.071704 139.0
[M+NH4]+ 195.112803 158.1
[M+K]+ 216.042138 142.3
[M+H-H2O]+ 160.076240 131.2
[M+HCOO]- 222.077181 157.4
[M+CH3COO]- 236.092831 176.6
[M+Na-2H]- 198.053646 142.1
[M]+ 177.07843142 135.9
[M]- 177.07952858 135.9
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