CID 2060448

1-formyl-2-methylindolizine-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
CC1=C(N2C=CC=CC2=C1C=O)C#N
InChI
InChI=1S/C11H8N2O/c1-8-9(7-14)10-4-2-3-5-13(10)11(8)6-12/h2-5,7H,1H3
InChIKey
GCDATXRCOUTHMK-UHFFFAOYSA-N
Compound name
1-formyl-2-methylindolizine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06366 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 139.7
[M+Na]+ 207.05288 153.5
[M-H]- 183.05638 143.0
[M+NH4]+ 202.09748 159.4
[M+K]+ 223.02682 148.0
[M+H-H2O]+ 167.06092 126.9
[M+HCOO]- 229.06186 160.8
[M+CH3COO]- 243.07751 194.9
[M+Na-2H]- 205.03833 145.5
[M]+ 184.06311 138.0
[M]- 184.06421 138.0
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.