CID 16772359

3-(2-methylpropanamido)naphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC(C)C(=O)NC1=CC2=CC=CC=C2C=C1C(=O)O
InChI
InChI=1S/C15H15NO3/c1-9(2)14(17)16-13-8-11-6-4-3-5-10(11)7-12(13)15(18)19/h3-9H,1-2H3,(H,16,17)(H,18,19)
InChIKey
XYWAUUIQQPTWSQ-UHFFFAOYSA-N
Compound name
3-(2-methylpropanoylamino)naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 157.3
[M+Na]+ 280.09442 163.6
[M-H]- 256.09792 160.5
[M+NH4]+ 275.13902 174.1
[M+K]+ 296.06836 160.8
[M+H-H2O]+ 240.10246 150.8
[M+HCOO]- 302.10340 177.2
[M+CH3COO]- 316.11905 198.1
[M+Na-2H]- 278.07987 160.4
[M]+ 257.10465 157.2
[M]- 257.10575 157.2
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

No patent data available for this compound.