CID 4418905

191215-87-9

Structural Information

Molecular Formula
C20H17NO4
SMILES
C#CCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H17NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h1,3-6,8-11,17-18H,7,12H2,(H,21,24)(H,22,23)
InChIKey
DJGMNCKHNMRKFM-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

335.11575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.12303 187.6
[M+Na]+ 358.10497 196.2
[M-H]- 334.10847 189.0
[M+NH4]+ 353.14957 201.6
[M+K]+ 374.07891 187.9
[M+H-H2O]+ 318.11301 174.8
[M+HCOO]- 380.11395 200.7
[M+CH3COO]- 394.12960 215.5
[M+Na-2H]- 356.09042 187.0
[M]+ 335.11520 183.4
[M]- 335.11630 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

literature stripe

Patent stripe

patents stripe