CID 25009656

Schembl3648566

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CC(C)(C)CC(=O)NC(=O)N

InChI

InChI=1S/C7H14N2O2/c1-7(2,3)4-5(10)9-6(8)11/h4H2,1-3H3,(H3,8,9,10,11)

InChIKey

ZMOUFJZAKSLJJX-UHFFFAOYSA-N

Compound name

N-carbamoyl-3,3-dimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 158.10553 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]+	159.11281	135.9
[M+Na]+	181.09475	141.8
[M-H]-	157.09825	136.0
[M+NH4]+	176.13935	156.2
[M+K]+	197.06869	142.0
[M+H-H2O]+	141.10279	131.2
[M+HCOO]-	203.10373	158.2
[M+CH3COO]-	217.11938	181.4
[M+Na-2H]-	179.08020	140.0
[M]+	158.10498	134.3
[M]-	158.10608	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe