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

255
Patents

177.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.1
[M+Na]+ 200.06820 144.9
[M-H]- 176.07170 139.0
[M+NH4]+ 195.11280 158.1
[M+K]+ 216.04214 142.3
[M+H-H2O]+ 160.07624 131.2
[M+HCOO]- 222.07718 157.4
[M+CH3COO]- 236.09283 176.6
[M+Na-2H]- 198.05365 142.1
[M]+ 177.07843 135.9
[M]- 177.07953 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