CID 5156490

159390-26-8

Structural Information

Molecular Formula

C₁₃H₂₂N₂O₄

SMILES

CC1(OCC(O1)CN=C=NCC2COC(O2)(C)C)C

InChI

InChI=1S/C13H22N2O4/c1-12(2)16-7-10(18-12)5-14-9-15-6-11-8-17-13(3,4)19-11/h10-11H,5-8H2,1-4H3

InChIKey

QHHHYLFZGYIBCX-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 668
Patents: 270.15796 Da
Monoisotopic Mass: 1.6
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]+	271.16524	161.1
[M+Na]+	293.14718	168.6
[M+NH4]+	288.19178	170.1
[M+K]+	309.12112	165.1
[M-H]-	269.15068	168.6
[M+Na-2H]-	291.13263	165.2
[M]+	270.15741	164.3
[M]-	270.15851	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe