CID 34042

Safrazine

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂

SMILES

CC(CCC1=CC2=C(C=C1)OCO2)NN

InChI

InChI=1S/C11H16N2O2/c1-8(13-12)2-3-9-4-5-10-11(6-9)15-7-14-10/h4-6,8,13H,2-3,7,12H2,1H3

InChIKey

IBWPUTAKVGZXRB-UHFFFAOYSA-N

Compound name

4-(1,3-benzodioxol-5-yl)butan-2-ylhydrazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 19
References: 1191
Patents: 208.12119 Da
Monoisotopic Mass: 1.8
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]+	209.128466	147.1
[M+Na]+	231.110408	153.0
[M-H]-	207.113914	152.1
[M+NH4]+	226.155013	165.3
[M+K]+	247.084348	152.9
[M+H-H2O]+	191.118450	140.9
[M+HCOO]-	253.119391	169.1
[M+CH3COO]-	267.135041	190.5
[M+Na-2H]-	229.095856	153.4
[M]+	208.12064142	147.2
[M]-	208.12173858	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe