CID 10012504

156406-42-7

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)(CO)[C@H](C1=CC=CC=C1)N

InChI

InChI=1S/C11H17NO/c1-11(2,8-13)10(12)9-6-4-3-5-7-9/h3-7,10,13H,8,12H2,1-2H3/t10-/m0/s1

InChIKey

JROIRYAZVQTFDW-JTQLQIEISA-N

Compound name

(3S)-3-amino-2,2-dimethyl-3-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 179.13101 Da
Monoisotopic Mass: 1.3
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]+	180.13829	141.6
[M+Na]+	202.12023	151.9
[M+NH4]+	197.16483	149.6
[M+K]+	218.09417	146.9
[M-H]-	178.12373	143.2
[M+Na-2H]-	200.10568	147.5
[M]+	179.13046	143.4
[M]-	179.13156	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe