CID 16767551

2,3-dimethylindolizine-1-carbaldehyde

Structural Information

Molecular Formula
C11H11NO
SMILES
CC1=C(N2C=CC=CC2=C1C=O)C
InChI
InChI=1S/C11H11NO/c1-8-9(2)12-6-4-3-5-11(12)10(8)7-13/h3-7H,1-2H3
InChIKey
FNQSFWABEPSDFS-UHFFFAOYSA-N
Compound name
2,3-dimethylindolizine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08406 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 133.6
[M+Na]+ 196.073278 145.8
[M-H]- 172.076784 138.2
[M+NH4]+ 191.117883 156.5
[M+K]+ 212.047218 142.4
[M+H-H2O]+ 156.081320 128.0
[M+HCOO]- 218.082261 158.9
[M+CH3COO]- 232.097911 181.7
[M+Na-2H]- 194.058726 140.4
[M]+ 173.08351142 137.7
[M]- 173.08460858 137.7
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.