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]+ 224.14452 150.5
[M+Na]+ 246.12646 157.4
[M-H]- 222.12996 154.2
[M+NH4]+ 241.17106 169.5
[M+K]+ 262.10040 155.9
[M+H-H2O]+ 206.13450 143.1
[M+HCOO]- 268.13544 173.6
[M+CH3COO]- 282.15109 198.7
[M+Na-2H]- 244.11191 152.8
[M]+ 223.13669 152.1
[M]- 223.13779 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.