CID 73006883

160885-93-8

Structural Information

Molecular Formula
C20H21NO4
SMILES
CCC(C)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/c1-3-20(2,18(22)23)21-19(24)25-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17H,3,12H2,1-2H3,(H,21,24)(H,22,23)
InChIKey
DZSLHAJXIQCMLR-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

339.14706 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.7
[M+Na]+ 362.13628 186.3
[M-H]- 338.13978 184.5
[M+NH4]+ 357.18088 196.9
[M+K]+ 378.11022 182.7
[M+H-H2O]+ 322.14432 174.5
[M+HCOO]- 384.14526 198.9
[M+CH3COO]- 398.16091 211.6
[M+Na-2H]- 360.12173 184.3
[M]+ 339.14651 183.4
[M]- 339.14761 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

patents stripe