CID 4777650

1158371-11-9

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(C)NCC1=CC=C(C=C1)OC

InChI

InChI=1S/C11H17NO/c1-9(2)12-8-10-4-6-11(13-3)7-5-10/h4-7,9,12H,8H2,1-3H3

InChIKey

RVROZYOHWNUUNB-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)methyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 214
Patents: 179.13101 Da
Monoisotopic Mass: 2.2
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	140.6
[M+Na]+	202.12023	152.6
[M+NH4]+	197.16483	149.4
[M+K]+	218.09417	145.9
[M-H]-	178.12373	143.6
[M+Na-2H]-	200.10568	147.6
[M]+	179.13046	143.1
[M]-	179.13156	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe