CID 853016

(2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)butanoic acid

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H19NO4/c1-2-17(18(21)22)20-19(23)24-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16-17H,2,11H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1
InChIKey
XQIRYUNKLVPVRR-KRWDZBQOSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

529
Patents

325.1314 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.9
[M+Na]+ 348.12062 181.3
[M-H]- 324.12412 179.7
[M+NH4]+ 343.16522 192.5
[M+K]+ 364.09456 177.8
[M+H-H2O]+ 308.12866 169.3
[M+HCOO]- 370.12960 195.1
[M+CH3COO]- 384.14525 209.2
[M+Na-2H]- 346.10607 177.8
[M]+ 325.13085 178.1
[M]- 325.13195 178.1
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

patents stripe