CID 23198553

1315449-56-9

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

23
Patents

168.1011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.108376 136.2
[M+Na]+ 191.090318 142.2
[M-H]- 167.093824 135.8
[M+NH4]+ 186.134923 150.2
[M+K]+ 207.064258 141.0
[M+H-H2O]+ 151.098360 126.5
[M+HCOO]- 213.099301 151.6
[M+CH3COO]- 227.114951 147.1
[M+Na-2H]- 189.075766 141.9
[M]+ 168.10055142 131.4
[M]- 168.10164858 131.4
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