CID 55264411

2,3-dihydro-4-methoxy-1h-indene-1-carbonitrile

Structural Information

Molecular Formula
C11H11NO
SMILES
COC1=CC=CC2=C1CCC2C#N
InChI
InChI=1S/C11H11NO/c1-13-11-4-2-3-9-8(7-12)5-6-10(9)11/h2-4,8H,5-6H2,1H3
InChIKey
XCPWFKMDMIRUAO-UHFFFAOYSA-N
Compound name
4-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.08406 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 138.0
[M+Na]+ 196.07328 149.5
[M-H]- 172.07678 142.2
[M+NH4]+ 191.11788 159.3
[M+K]+ 212.04722 144.4
[M+H-H2O]+ 156.08132 126.3
[M+HCOO]- 218.08226 157.9
[M+CH3COO]- 232.09791 192.9
[M+Na-2H]- 194.05873 143.2
[M]+ 173.08351 133.8
[M]- 173.08461 133.8
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