CID 3017471

63949-17-7

Structural Information

Molecular Formula

C₁₀H₂₀N₂O

SMILES

CC(C)NCCCNC(=O)C(=C)C

InChI

InChI=1S/C10H20N2O/c1-8(2)10(13)12-7-5-6-11-9(3)4/h9,11H,1,5-7H2,2-4H3,(H,12,13)

InChIKey

HSJUCVMTRAUTNQ-UHFFFAOYSA-N

Compound name

2-methyl-N-[3-(propan-2-ylamino)propyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 184.15756 Da
Monoisotopic Mass: 1.2
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]+	185.164836	147.6
[M+Na]+	207.146778	151.4
[M-H]-	183.150284	147.3
[M+NH4]+	202.191383	166.7
[M+K]+	223.120718	150.7
[M+H-H2O]+	167.154820	141.7
[M+HCOO]-	229.155761	169.7
[M+CH3COO]-	243.171411	191.1
[M+Na-2H]-	205.132226	149.0
[M]+	184.15701142	146.7
[M]-	184.15810858	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe