CID 93974476

1234692-66-0

Structural Information

Molecular Formula
C21H19NO4
SMILES
C#CCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H19NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h1,4-11,18-19H,3,12-13H2,(H,22,25)(H,23,24)/t19-/m1/s1
InChIKey
IISRBJULQYVYGV-LJQANCHMSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13868 185.2
[M+Na]+ 372.12062 194.7
[M+NH4]+ 367.16522 188.0
[M+K]+ 388.09456 187.1
[M-H]- 348.12412 178.0
[M+Na-2H]- 370.10607 184.4
[M]+ 349.13085 183.4
[M]- 349.13195 183.4
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.