CID 11142085

Fmoc-ala-cl

Structural Information

Molecular Formula
C18H16ClNO3
SMILES
C[C@@H](C(=O)Cl)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H16ClNO3/c1-11(17(19)21)20-18(22)23-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16H,10H2,1H3,(H,20,22)/t11-/m0/s1
InChIKey
AFMYCMGTXVCJCH-NSHDSACASA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-1-chloro-1-oxopropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

329.08188 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.08916 175.9
[M+Na]+ 352.07110 183.3
[M-H]- 328.07460 181.1
[M+NH4]+ 347.11570 194.1
[M+K]+ 368.04504 178.3
[M+H-H2O]+ 312.07914 170.1
[M+HCOO]- 374.08008 192.3
[M+CH3COO]- 388.09573 210.0
[M+Na-2H]- 350.05655 178.0
[M]+ 329.08133 180.5
[M]- 329.08243 180.5
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