CID 43312993

5-fluoro-2-[methyl(2-methylbutyl)amino]benzaldehyde

Structural Information

Molecular Formula
C13H18FNO
SMILES
CCC(C)CN(C)C1=C(C=C(C=C1)F)C=O
InChI
InChI=1S/C13H18FNO/c1-4-10(2)8-15(3)13-6-5-12(14)7-11(13)9-16/h5-7,9-10H,4,8H2,1-3H3
InChIKey
NUNWRCUUGSWTDA-UHFFFAOYSA-N
Compound name
5-fluoro-2-[methyl(2-methylbutyl)amino]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 150.5
[M+Na]+ 246.126458 157.4
[M-H]- 222.129964 154.2
[M+NH4]+ 241.171063 169.5
[M+K]+ 262.100398 155.9
[M+H-H2O]+ 206.134500 143.1
[M+HCOO]- 268.135441 173.6
[M+CH3COO]- 282.151091 198.7
[M+Na-2H]- 244.111906 152.8
[M]+ 223.13669142 152.1
[M]- 223.13778858 152.1
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.