CID 546932

4-[3-(dimethylamino)propoxy]benzaldehyde

Structural Information

Molecular Formula
C12H17NO2
SMILES
CN(C)CCCOC1=CC=C(C=C1)C=O
InChI
InChI=1S/C12H17NO2/c1-13(2)8-3-9-15-12-6-4-11(10-14)5-7-12/h4-7,10H,3,8-9H2,1-2H3
InChIKey
ZYOHTXKOHWSJMZ-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propoxy]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

479
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 146.5
[M+Na]+ 230.11515 153.1
[M-H]- 206.11865 151.3
[M+NH4]+ 225.15975 166.0
[M+K]+ 246.08909 152.3
[M+H-H2O]+ 190.12319 139.7
[M+HCOO]- 252.12413 172.3
[M+CH3COO]- 266.13978 193.0
[M+Na-2H]- 228.10060 152.0
[M]+ 207.12538 150.6
[M]- 207.12648 150.6
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

patents stripe