CID 605391

4-(dibutylamino)benzaldehyde

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C15H23NO/c1-3-5-11-16(12-6-4-2)15-9-7-14(13-17)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3
InChIKey
VNWPLOWYHIDMEB-UHFFFAOYSA-N
Compound name
4-(dibutylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

873
Patents

233.17796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.4
[M+Na]+ 256.16718 162.7
[M-H]- 232.17068 161.6
[M+NH4]+ 251.21178 175.8
[M+K]+ 272.14112 160.6
[M+H-H2O]+ 216.17522 150.2
[M+HCOO]- 278.17616 181.9
[M+CH3COO]- 292.19181 200.1
[M+Na-2H]- 254.15263 161.1
[M]+ 233.17741 161.1
[M]- 233.17851 161.1
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