CID 65830730

3-(1-ethyl-1h-indazol-3-yl)propanal

Structural Information

Molecular Formula
C12H14N2O
SMILES
CCN1C2=CC=CC=C2C(=N1)CCC=O
InChI
InChI=1S/C12H14N2O/c1-2-14-12-8-4-3-6-10(12)11(13-14)7-5-9-15/h3-4,6,8-9H,2,5,7H2,1H3
InChIKey
LGUHVEKJLYRYJX-UHFFFAOYSA-N
Compound name
3-(1-ethylindazol-3-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 143.7
[M+Na]+ 225.099828 154.5
[M-H]- 201.103334 146.1
[M+NH4]+ 220.144433 163.6
[M+K]+ 241.073768 150.6
[M+H-H2O]+ 185.107870 136.4
[M+HCOO]- 247.108811 167.2
[M+CH3COO]- 261.124461 186.3
[M+Na-2H]- 223.085276 150.4
[M]+ 202.11006142 148.2
[M]- 202.11115858 148.2
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.