CID 520711

35000-22-7

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C)NCC=C

InChI

InChI=1S/C6H13N/c1-4-5-7-6(2)3/h4,6-7H,1,5H2,2-3H3

InChIKey

OWUBKHTYXCOYMM-UHFFFAOYSA-N

Compound name

N-prop-2-enylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 99.1048 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]+	100.11208	121.8
[M+Na]+	122.09402	131.8
[M+NH4]+	117.13862	130.3
[M+K]+	138.06796	125.9
[M-H]-	98.097524	122.3
[M+Na-2H]-	120.07947	126.2
[M]+	99.104251	123.1
[M]-	99.105349	123.1

Literature stripe

literature stripe

Patent stripe

patents stripe