CID 207171

Lu-4-002

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCN(C)C)C(=O)O)C
InChI
InChI=1S/C16H23NO3/c1-15(2)12-8-5-6-9-13(12)16(20-15,14(18)19)10-7-11-17(3)4/h5-6,8-9H,7,10-11H2,1-4H3,(H,18,19)
InChIKey
SIDHIMHMKZPNKC-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-3,3-dimethyl-2-benzofuran-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 164.2
[M+Na]+ 300.15702 173.6
[M+NH4]+ 295.20162 174.2
[M+K]+ 316.13096 166.8
[M-H]- 276.16052 166.7
[M+Na-2H]- 298.14247 169.7
[M]+ 277.16725 166.4
[M]- 277.16835 166.4
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.