CID 21829640

Indolizine-1-carbaldehyde

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC2=C(C=CN2C=C1)C=O
InChI
InChI=1S/C9H7NO/c11-7-8-4-6-10-5-2-1-3-9(8)10/h1-7H
InChIKey
YOORKGMSHWFZSX-UHFFFAOYSA-N
Compound name
indolizine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

145.05276 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 124.9
[M+Na]+ 168.041978 136.1
[M-H]- 144.045484 129.1
[M+NH4]+ 163.086583 148.3
[M+K]+ 184.015918 133.2
[M+H-H2O]+ 128.050020 119.1
[M+HCOO]- 190.050961 150.9
[M+CH3COO]- 204.066611 140.5
[M+Na-2H]- 166.027426 134.2
[M]+ 145.05221142 127.5
[M]- 145.05330858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe