CID 39604

1-naphthalenecarboxylic acid, 2-(dimethylamino)ester, hydrochloride

Structural Information

Molecular Formula
C15H17NO2
SMILES
CN(C)CCOC(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H17NO2/c1-16(2)10-11-18-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3
InChIKey
WEOWZMRUUUCDJP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.3
[M+Na]+ 266.11515 161.7
[M-H]- 242.11865 160.9
[M+NH4]+ 261.15975 174.1
[M+K]+ 282.08909 159.9
[M+H-H2O]+ 226.12319 148.0
[M+HCOO]- 288.12413 178.9
[M+CH3COO]- 302.13978 199.7
[M+Na-2H]- 264.10060 161.2
[M]+ 243.12538 158.5
[M]- 243.12648 158.5
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