CID 7009853

(3r)-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)hex-5-enoic acid

Structural Information

Molecular Formula
C21H21NO4
SMILES
C=CC[C@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H21NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h2-6,8-11,14,19H,1,7,12-13H2,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKey
SVCMPCVPSYAVJO-CQSZACIVSA-N
Compound name
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

351.14706 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 184.2
[M+Na]+ 374.13628 188.9
[M-H]- 350.13978 187.5
[M+NH4]+ 369.18088 199.5
[M+K]+ 390.11022 184.4
[M+H-H2O]+ 334.14432 177.2
[M+HCOO]- 396.14526 202.8
[M+CH3COO]- 410.16091 214.4
[M+Na-2H]- 372.12173 185.0
[M]+ 351.14651 186.3
[M]- 351.14761 186.3
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