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]+	172.15701	137.4
[M+Na]+	194.13895	146.5
[M+NH4]+	189.18355	148.0
[M+K]+	210.11289	140.0
[M-H]-	170.14245	138.3
[M+Na-2H]-	192.12440	143.5
[M]+	171.14918	139.0
[M]-	171.15028	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe