CID 3016597

2-isopropyl-n,n,2,3-tetramethylbutyramide

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

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

InChI

InChI=1S/C11H23NO/c1-8(2)11(5,9(3)4)10(13)12(6)7/h8-9H,1-7H3

InChIKey

ZYQWAFXFBQUZGE-UHFFFAOYSA-N

Compound name

N,N,2,3-tetramethyl-2-propan-2-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 185.17796 Da
Monoisotopic Mass: 2.7
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]+	186.185236	145.8
[M+Na]+	208.167178	150.6
[M-H]-	184.170684	147.4
[M+NH4]+	203.211783	166.3
[M+K]+	224.141118	152.2
[M+H-H2O]+	168.175220	141.1
[M+HCOO]-	230.176161	165.6
[M+CH3COO]-	244.191811	194.0
[M+Na-2H]-	206.152626	146.9
[M]+	185.17741142	147.8
[M]-	185.17850858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe