CID 61737607

2-(1h-1,2,4-triazol-3-yl)morpholine dihydrochloride

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1COC(CN1)C2=NC=NN2
InChI
InChI=1S/C6H10N4O/c1-2-11-5(3-7-1)6-8-4-9-10-6/h4-5,7H,1-3H2,(H,8,9,10)
InChIKey
QUQCKLZVKOXQBI-UHFFFAOYSA-N
Compound name
2-(1H-1,2,4-triazol-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 132.5
[M+Na]+ 177.07468 138.6
[M-H]- 153.07818 130.9
[M+NH4]+ 172.11928 146.4
[M+K]+ 193.04862 136.6
[M+H-H2O]+ 137.08272 123.3
[M+HCOO]- 199.08366 146.8
[M+CH3COO]- 213.09931 143.1
[M+Na-2H]- 175.06013 138.3
[M]+ 154.08491 125.5
[M]- 154.08601 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.