CID 71445379

5-isoquinolinecarbonitrile, 6-methoxy-

Structural Information

Molecular Formula
C11H8N2O
SMILES
COC1=C(C2=C(C=C1)C=NC=C2)C#N
InChI
InChI=1S/C11H8N2O/c1-14-11-3-2-8-7-13-5-4-9(8)10(11)6-12/h2-5,7H,1H3
InChIKey
VWYXCWASUZDBPK-UHFFFAOYSA-N
Compound name
6-methoxyisoquinoline-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.070936 138.5
[M+Na]+ 207.052878 150.3
[M-H]- 183.056384 141.2
[M+NH4]+ 202.097483 156.2
[M+K]+ 223.026818 145.4
[M+H-H2O]+ 167.060920 125.2
[M+HCOO]- 229.061861 157.5
[M+CH3COO]- 243.077511 150.7
[M+Na-2H]- 205.038326 146.6
[M]+ 184.06311142 135.1
[M]- 184.06420858 135.1
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