CID 93612

Brn 0556336

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CN1CCC2CC1N(C2)C(=O)C3=CC=C(C=C3)CC(=O)O
InChI
InChI=1S/C16H20N2O3/c1-17-7-6-12-8-14(17)18(10-12)16(21)13-4-2-11(3-5-13)9-15(19)20/h2-5,12,14H,6-10H2,1H3,(H,19,20)
InChIKey
LVDCIFZWIXIYMZ-UHFFFAOYSA-N
Compound name
2-[4-(2-methyl-2,7-diazabicyclo[3.2.1]octane-7-carbonyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 167.8
[M+Na]+ 311.13662 177.5
[M+NH4]+ 306.18122 174.4
[M+K]+ 327.11056 174.3
[M-H]- 287.14012 168.0
[M+Na-2H]- 309.12207 169.4
[M]+ 288.14685 168.8
[M]- 288.14795 168.8
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.