CID 86024879

838823-88-4

Structural Information

Molecular Formula
C15H10N2O2
SMILES
COC(=O)C1=CC(=C2N1C=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C15H10N2O2/c1-19-15(18)13-8-11(9-16)14-12-5-3-2-4-10(12)6-7-17(13)14/h2-8H,1H3
InChIKey
CYAHBGZGAJGHJB-UHFFFAOYSA-N
Compound name
methyl 1-cyanopyrrolo[2,1-a]isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07423 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.081506 160.0
[M+Na]+ 273.063448 173.4
[M-H]- 249.066954 163.6
[M+NH4]+ 268.108053 177.9
[M+K]+ 289.037388 166.0
[M+H-H2O]+ 233.071490 146.4
[M+HCOO]- 295.072431 178.8
[M+CH3COO]- 309.088081 171.6
[M+Na-2H]- 271.048896 165.0
[M]+ 250.07368142 158.9
[M]- 250.07477858 158.9
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

No patent data available for this compound.