CID 123484

39575-65-0

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CC1CC(N=C(O1)C(=C)C)(C)C

InChI

InChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h8H,1,6H2,2-5H3

InChIKey

NXCYOVQRBLCDPD-UHFFFAOYSA-N

Compound name

4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 17
Patents: 167.13101 Da
Monoisotopic Mass: 2.1
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]+	168.13829	138.0
[M+Na]+	190.12023	150.2
[M+NH4]+	185.16483	147.5
[M+K]+	206.09417	142.8
[M-H]-	166.12373	140.7
[M+Na-2H]-	188.10568	144.0
[M]+	167.13046	140.6
[M]-	167.13156	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe