CID 12053263

N-(2,6-diisopropylphenyl)formamide

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC=O

InChI

InChI=1S/C13H19NO/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-10H,1-4H3,(H,14,15)

InChIKey

HGCULERWAGEILG-UHFFFAOYSA-N

Compound name

N-[2,6-di(propan-2-yl)phenyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 54
Patents: 205.14667 Da
Monoisotopic Mass: 2.4
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]+	206.15395	148.1
[M+Na]+	228.13589	154.6
[M-H]-	204.13939	151.8
[M+NH4]+	223.18049	167.3
[M+K]+	244.10983	152.6
[M+H-H2O]+	188.14393	142.0
[M+HCOO]-	250.14487	170.8
[M+CH3COO]-	264.16052	193.4
[M+Na-2H]-	226.12134	150.6
[M]+	205.14612	149.0
[M]-	205.14722	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe