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

33
Patents

163.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.8
[M+Na]+ 186.08894 141.4
[M-H]- 162.09244 139.1
[M+NH4]+ 181.13354 155.2
[M+K]+ 202.06288 140.5
[M+H-H2O]+ 146.09698 127.7
[M+HCOO]- 208.09792 160.1
[M+CH3COO]- 222.11357 184.9
[M+Na-2H]- 184.07439 140.4
[M]+ 163.09917 135.8
[M]- 163.10027 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