CID 9556442

3-methylbutylidene gyromitrin

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC(C)C/C=N/N(C)C=O

InChI

InChI=1S/C7H14N2O/c1-7(2)4-5-8-9(3)6-10/h5-7H,4H2,1-3H3/b8-5+

InChIKey

GZCRKMACGRBALK-VMPITWQZSA-N

Compound name

N-methyl-N-[(E)-3-methylbutylideneamino]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 142.11061 Da
Monoisotopic Mass: 1.0
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]+	143.117886	131.8
[M+Na]+	165.099828	137.9
[M-H]-	141.103334	134.9
[M+NH4]+	160.144433	154.2
[M+K]+	181.073768	139.4
[M+H-H2O]+	125.107870	126.0
[M+HCOO]-	187.108811	159.0
[M+CH3COO]-	201.124461	186.4
[M+Na-2H]-	163.085276	137.3
[M]+	142.11006142	134.4
[M]-	142.11115858	134.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.