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]+ 203.11789 143.7
[M+Na]+ 225.09983 154.5
[M-H]- 201.10333 146.1
[M+NH4]+ 220.14443 163.6
[M+K]+ 241.07377 150.6
[M+H-H2O]+ 185.10787 136.4
[M+HCOO]- 247.10881 167.2
[M+CH3COO]- 261.12446 186.3
[M+Na-2H]- 223.08528 150.4
[M]+ 202.11006 148.2
[M]- 202.11116 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.