CID 10610231

180778-94-3

Structural Information

Molecular Formula

C₉H₁₆F₃NO₃

SMILES

CC(C(C(F)(F)F)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H16F3NO3/c1-5(6(14)9(10,11)12)13-7(15)16-8(2,3)4/h5-6,14H,1-4H3,(H,13,15)

InChIKey

HIVJJBUFQGEXBV-UHFFFAOYSA-N

Compound name

tert-butyl N-(4,4,4-trifluoro-3-hydroxybutan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.10823 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.11551	151.1
[M+Na]+	266.09745	156.6
[M-H]-	242.10095	146.1
[M+NH4]+	261.14205	167.7
[M+K]+	282.07139	156.7
[M+H-H2O]+	226.10549	144.4
[M+HCOO]-	288.10643	165.2
[M+CH3COO]-	302.12208	192.4
[M+Na-2H]-	264.08290	152.7
[M]+	243.10768	147.3
[M]-	243.10878	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe