CID 50857

69782-01-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CCC(COC1=CC=CC=C1)NN

InChI

InChI=1S/C10H16N2O/c1-2-9(12-11)8-13-10-6-4-3-5-7-10/h3-7,9,12H,2,8,11H2,1H3

InChIKey

HOZBEUZBCGCVLS-UHFFFAOYSA-N

Compound name

1-phenoxybutan-2-ylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 180.12627 Da
Monoisotopic Mass: 1.7
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]+	181.13355	140.3
[M+Na]+	203.11549	145.2
[M-H]-	179.11899	143.0
[M+NH4]+	198.16009	159.3
[M+K]+	219.08943	143.6
[M+H-H2O]+	163.12353	133.6
[M+HCOO]-	225.12447	165.2
[M+CH3COO]-	239.14012	186.3
[M+Na-2H]-	201.10094	146.3
[M]+	180.12572	138.8
[M]-	180.12682	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe