CID 6364642

35661-39-3

Structural Information

Molecular Formula
C18H17NO4
SMILES
C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H17NO4/c1-11(17(20)21)19-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKey
QWXZOFZKSQXPDC-NSHDSACASA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

10891
Patents

311.11575 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.123026 171.2
[M+Na]+ 334.104968 177.1
[M-H]- 310.108474 175.2
[M+NH4]+ 329.149573 188.4
[M+K]+ 350.078908 173.8
[M+H-H2O]+ 294.113010 164.8
[M+HCOO]- 356.113951 190.7
[M+CH3COO]- 370.129601 206.2
[M+Na-2H]- 332.090416 173.6
[M]+ 311.11520142 173.1
[M]- 311.11629858 173.1
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