CID 522695

4-(dimethylamino)-1-naphthoic acid

Structural Information

Molecular Formula
C13H13NO2
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C13H13NO2/c1-14(2)12-8-7-11(13(15)16)9-5-3-4-6-10(9)12/h3-8H,1-2H3,(H,15,16)
InChIKey
LZQKNRRVTOJUHQ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

102
Patents

215.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 145.5
[M+Na]+ 238.08386 153.2
[M-H]- 214.08736 150.4
[M+NH4]+ 233.12846 165.0
[M+K]+ 254.05780 151.1
[M+H-H2O]+ 198.09190 139.1
[M+HCOO]- 260.09284 168.3
[M+CH3COO]- 274.10849 192.9
[M+Na-2H]- 236.06931 151.4
[M]+ 215.09409 146.6
[M]- 215.09519 146.6
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