CID 2756112

(2r)-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)pentanoic acid

Structural Information

Molecular Formula
C20H21NO4
SMILES
CCC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO4/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/h3-6,8-11,17-18H,2,7,12H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKey
JBIJSEUVWWLFGV-GOSISDBHSA-N
Compound name
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

339.14706 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15434 180.6
[M+Na]+ 362.13628 185.5
[M-H]- 338.13978 184.1
[M+NH4]+ 357.18088 196.6
[M+K]+ 378.11022 181.8
[M+H-H2O]+ 322.14432 173.7
[M+HCOO]- 384.14526 199.4
[M+CH3COO]- 398.16091 212.1
[M+Na-2H]- 360.12173 181.9
[M]+ 339.14651 183.1
[M]- 339.14761 183.1
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

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