CID 608052

4-dimethylamino-1-naphthaldehyde

Structural Information

Molecular Formula
C13H13NO
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)C=O
InChI
InChI=1S/C13H13NO/c1-14(2)13-8-7-10(9-15)11-5-3-4-6-12(11)13/h3-9H,1-2H3
InChIKey
XCQFZIFIUMBSAO-UHFFFAOYSA-N
Compound name
4-(dimethylamino)naphthalene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

923
Patents

199.09972 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10700 141.6
[M+Na]+ 222.08894 150.2
[M-H]- 198.09244 147.9
[M+NH4]+ 217.13354 162.6
[M+K]+ 238.06288 147.8
[M+H-H2O]+ 182.09698 135.1
[M+HCOO]- 244.09792 166.7
[M+CH3COO]- 258.11357 192.5
[M+Na-2H]- 220.07439 149.2
[M]+ 199.09917 143.7
[M]- 199.10027 143.7
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