CID 3064627

105124-59-2

Structural Information

Molecular Formula
C15H19NO3
SMILES
C1C[C@H]2[C@H](C3=CC=CC=C3C1)OCCN2CC(=O)O
InChI
InChI=1S/C15H19NO3/c17-14(18)10-16-8-9-19-15-12-6-2-1-4-11(12)5-3-7-13(15)16/h1-2,4,6,13,15H,3,5,7-10H2,(H,17,18)/t13-,15-/m0/s1
InChIKey
IJULNHKIRMBJKV-ZFWWWQNUSA-N
Compound name
2-[(2S,7S)-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),11,13-trien-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 159.4
[M+Na]+ 284.12572 168.8
[M+NH4]+ 279.17032 166.6
[M+K]+ 300.09966 164.4
[M-H]- 260.12922 161.7
[M+Na-2H]- 282.11117 161.9
[M]+ 261.13595 161.2
[M]- 261.13705 161.2
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.