CID 2756086

4-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

Structural Information

Molecular Formula
C19H19NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCC(=O)O
InChI
InChI=1S/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
InChIKey
ACUIFAAXWDLLTR-UHFFFAOYSA-N
Compound name
4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

544
Patents

325.1314 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 175.4
[M+Na]+ 348.12062 181.1
[M-H]- 324.12412 179.1
[M+NH4]+ 343.16522 192.1
[M+K]+ 364.09456 177.0
[M+H-H2O]+ 308.12866 168.5
[M+HCOO]- 370.12960 195.6
[M+CH3COO]- 384.14525 208.3
[M+Na-2H]- 346.10607 178.5
[M]+ 325.13085 178.2
[M]- 325.13195 178.2
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