CID 29545

19343-25-0

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

CC(C)NCC(CC1=CC=CC=C1)O

InChI

InChI=1S/C12H19NO/c1-10(2)13-9-12(14)8-11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3

InChIKey

SHNJNXNMYKGBGP-UHFFFAOYSA-N

Compound name

1-phenyl-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 193.14667 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]+	194.153946	146.7
[M+Na]+	216.135888	150.9
[M-H]-	192.139394	148.3
[M+NH4]+	211.180493	165.0
[M+K]+	232.109828	148.8
[M+H-H2O]+	176.143930	140.4
[M+HCOO]-	238.144871	168.0
[M+CH3COO]-	252.160521	186.3
[M+Na-2H]-	214.121336	150.5
[M]+	193.14612142	145.2
[M]-	193.14721858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe