CID 93745

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

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1COCCN1N2C=NN=C2
InChI
InChI=1S/C6H10N4O/c1-3-11-4-2-9(1)10-5-7-8-6-10/h5-6H,1-4H2
InChIKey
IHQOUXBCYBOOKX-UHFFFAOYSA-N
Compound name
4-(1,2,4-triazol-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.08546 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.092736 131.0
[M+Na]+ 177.074678 138.0
[M-H]- 153.078184 132.1
[M+NH4]+ 172.119283 146.3
[M+K]+ 193.048618 137.9
[M+H-H2O]+ 137.082720 121.3
[M+HCOO]- 199.083661 148.3
[M+CH3COO]- 213.099311 143.1
[M+Na-2H]- 175.060126 137.7
[M]+ 154.08491142 127.7
[M]- 154.08600858 127.7
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

patents stripe