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

504
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.133206 146.5
[M+Na]+ 230.115148 153.1
[M-H]- 206.118654 151.3
[M+NH4]+ 225.159753 166.0
[M+K]+ 246.089088 152.3
[M+H-H2O]+ 190.123190 139.7
[M+HCOO]- 252.124131 172.3
[M+CH3COO]- 266.139781 193.0
[M+Na-2H]- 228.100596 152.0
[M]+ 207.12538142 150.6
[M]- 207.12647858 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