CID 688640

2-((((9h-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid

Structural Information

Molecular Formula
C18H17NO4
SMILES
CN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H17NO4/c1-19(10-17(20)21)18(22)23-11-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16H,10-11H2,1H3,(H,20,21)
InChIKey
ZHKQIADIIYMFOZ-UHFFFAOYSA-N
Compound name
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1065
Patents

311.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12303 171.4
[M+Na]+ 334.10497 177.6
[M-H]- 310.10847 176.7
[M+NH4]+ 329.14957 189.2
[M+K]+ 350.07891 175.1
[M+H-H2O]+ 294.11301 164.6
[M+HCOO]- 356.11395 192.4
[M+CH3COO]- 370.12960 208.6
[M+Na-2H]- 332.09042 174.1
[M]+ 311.11520 175.0
[M]- 311.11630 175.0
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