CID 42686

58270-08-9

Structural Information

Molecular Formula

C₉H₁₅N₃O₂

SMILES

CC(C)(CCC#N)C=NOC(=O)NC

InChI

InChI=1S/C9H15N3O2/c1-9(2,5-4-6-10)7-12-14-8(13)11-3/h7H,4-5H2,1-3H3,(H,11,13)

InChIKey

FWISWWONCDDGEX-UHFFFAOYSA-N

Compound name

[(4-cyano-2,2-dimethylbutylidene)amino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 3733
Patents: 197.11642 Da
Monoisotopic Mass: 0.8
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]+	198.12370	146.6
[M+Na]+	220.10564	153.6
[M-H]-	196.10914	148.3
[M+NH4]+	215.15024	164.1
[M+K]+	236.07958	154.3
[M+H-H2O]+	180.11368	134.3
[M+HCOO]-	242.11462	167.5
[M+CH3COO]-	256.13027	202.4
[M+Na-2H]-	218.09109	151.8
[M]+	197.11587	143.9
[M]-	197.11697	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe