CID 69171

4-(dipropylamino)benzaldehyde

Structural Information

Molecular Formula
C13H19NO
SMILES
CCCN(CCC)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C13H19NO/c1-3-9-14(10-4-2)13-7-5-12(11-15)6-8-13/h5-8,11H,3-4,9-10H2,1-2H3
InChIKey
HDOZLDYBGNJMMZ-UHFFFAOYSA-N
Compound name
4-(dipropylamino)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

140
Patents

205.14667 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.153946 148.0
[M+Na]+ 228.135888 154.2
[M-H]- 204.139394 152.7
[M+NH4]+ 223.180493 167.6
[M+K]+ 244.109828 152.6
[M+H-H2O]+ 188.143930 141.2
[M+HCOO]- 250.144871 173.2
[M+CH3COO]- 264.160521 194.0
[M+Na-2H]- 226.121336 152.9
[M]+ 205.14612142 151.0
[M]- 205.14721858 151.0
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