CID 2756096

Ec 619-072-5

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC(C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4/c1-19(2,17(21)22)20-18(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
HOZZVEPRYYCBTO-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2106
Patents

325.1314 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.0
[M+Na]+ 348.12062 182.1
[M-H]- 324.12412 180.0
[M+NH4]+ 343.16522 192.8
[M+K]+ 364.09456 178.6
[M+H-H2O]+ 308.12866 170.0
[M+HCOO]- 370.12960 194.6
[M+CH3COO]- 384.14525 208.7
[M+Na-2H]- 346.10607 180.2
[M]+ 325.13085 178.4
[M]- 325.13195 178.4
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