CID 14594846

3-[(dimethylamino)methyl]benzaldehyde

Structural Information

Molecular Formula
C10H13NO
SMILES
CN(C)CC1=CC(=CC=C1)C=O
InChI
InChI=1S/C10H13NO/c1-11(2)7-9-4-3-5-10(6-9)8-12/h3-6,8H,7H2,1-2H3
InChIKey
FHKTUGAQZLCFTP-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

163.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 133.8
[M+Na]+ 186.088938 141.4
[M-H]- 162.092444 139.1
[M+NH4]+ 181.133543 155.2
[M+K]+ 202.062878 140.5
[M+H-H2O]+ 146.096980 127.7
[M+HCOO]- 208.097921 160.1
[M+CH3COO]- 222.113571 184.9
[M+Na-2H]- 184.074386 140.4
[M]+ 163.09917142 135.8
[M]- 163.10026858 135.8
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