CID 23198553

2-(1h-1,2,4-triazol-1-ylmethyl)morpholine

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

C1COC(CN1)CN2C=NC=N2

InChI

InChI=1S/C7H12N4O/c1-2-12-7(3-8-1)4-11-6-9-5-10-11/h5-8H,1-4H2

InChIKey

DRHRFGKZKCJWFU-UHFFFAOYSA-N

Compound name

2-(1,2,4-triazol-1-ylmethyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 168.1011 Da
Monoisotopic Mass: -0.8
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]+	169.10838	136.8
[M+Na]+	191.09032	147.8
[M+NH4]+	186.13492	143.6
[M+K]+	207.06426	144.7
[M-H]-	167.09382	138.3
[M+Na-2H]-	189.07577	142.2
[M]+	168.10055	138.4
[M]-	168.10165	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe