CID 11194670

4-(benzyloxy)butan-2-amine

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

CC(CCOCC1=CC=CC=C1)N

InChI

InChI=1S/C11H17NO/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6,10H,7-9,12H2,1H3

InChIKey

NCVXGQWWOPIONP-UHFFFAOYSA-N

Compound name

4-phenylmethoxybutan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 179.13101 Da
Monoisotopic Mass: 1.4
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	147.0
[M-H]-	178.12373	144.2
[M+NH4]+	197.16483	161.0
[M+K]+	218.09417	145.1
[M+H-H2O]+	162.12827	135.2
[M+HCOO]-	224.12921	165.1
[M+CH3COO]-	238.14486	184.4
[M+Na-2H]-	200.10568	146.7
[M]+	179.13046	141.2
[M]-	179.13156	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe