CID 3035479

54606-49-4

Structural Information

Molecular Formula

C₉H₁₉N₂O

SMILES

CC1(CC(C(N1[O])(C)C)CN)C

InChI

InChI=1S/C9H19N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5-6,10H2,1-4H3

InChIKey

MMNYKXJVNIIIEG-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7
Patents: 171.14973 Da
Monoisotopic Mass: 0.5
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]+	172.157006	135.0
[M+Na]+	194.138948	144.0
[M-H]-	170.142454	137.5
[M+NH4]+	189.183553	160.1
[M+K]+	210.112888	143.2
[M+H-H2O]+	154.146990	131.3
[M+HCOO]-	216.147931	156.7
[M+CH3COO]-	230.163581	183.7
[M+Na-2H]-	192.124396	139.1
[M]+	171.14918142	134.8
[M]-	171.15027858	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe