CID 201727

6680-44-0

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(CCN1CCOCC1)(C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C19H23NO3/c1-19(18(21)22,9-10-20-11-13-23-14-12-20)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3,(H,21,22)
InChIKey
KIFLWUVRWAPWJO-UHFFFAOYSA-N
Compound name
2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 174.7
[M+Na]+ 336.15702 178.1
[M-H]- 312.16052 178.6
[M+NH4]+ 331.20162 186.0
[M+K]+ 352.13096 175.1
[M+H-H2O]+ 296.16506 165.9
[M+HCOO]- 358.16600 187.2
[M+CH3COO]- 372.18165 203.7
[M+Na-2H]- 334.14247 179.5
[M]+ 313.16725 172.0
[M]- 313.16835 172.0
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.