CID 10915303

Fmoc-val-cl

Structural Information

Molecular Formula
C20H20ClNO3
SMILES
CC(C)[C@@H](C(=O)Cl)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H20ClNO3/c1-12(2)18(19(21)23)22-20(24)25-11-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12,17-18H,11H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKey
OJVUGYYHLWTNDI-SFHVURJKSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2S)-1-chloro-3-methyl-1-oxobutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

357.11316 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12044 185.2
[M+Na]+ 380.10238 191.4
[M-H]- 356.10588 190.2
[M+NH4]+ 375.14698 202.2
[M+K]+ 396.07632 186.5
[M+H-H2O]+ 340.11042 179.3
[M+HCOO]- 402.11136 199.9
[M+CH3COO]- 416.12701 216.8
[M+Na-2H]- 378.08783 185.1
[M]+ 357.11261 190.0
[M]- 357.11371 190.0
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