CID 14795864

127168-73-4

Structural Information

Molecular Formula
C9H11NO
SMILES
COC1=CC=CC2=C1CNC2
InChI
InChI=1S/C9H11NO/c1-11-9-4-2-3-7-5-10-6-8(7)9/h2-4,10H,5-6H2,1H3
InChIKey
DCDSDKAYJZLMEX-UHFFFAOYSA-N
Compound name
4-methoxy-2,3-dihydro-1H-isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

149.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 129.7
[M+Na]+ 172.07328 138.0
[M-H]- 148.07678 131.6
[M+NH4]+ 167.11788 152.0
[M+K]+ 188.04722 135.2
[M+H-H2O]+ 132.08132 123.9
[M+HCOO]- 194.08226 151.0
[M+CH3COO]- 208.09791 172.2
[M+Na-2H]- 170.05873 136.4
[M]+ 149.08351 128.2
[M]- 149.08461 128.2
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