CID 62691768

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

Structural Information

Molecular Formula
C7H12N4O
SMILES
CN1C=NN=C1C2CNCCO2
InChI
InChI=1S/C7H12N4O/c1-11-5-9-10-7(11)6-4-8-2-3-12-6/h5-6,8H,2-4H2,1H3
InChIKey
GFRCNEYVJKBKLH-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,2,4-triazol-3-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.1011 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.8
[M+Na]+ 191.09032 148.2
[M+NH4]+ 186.13492 143.6
[M+K]+ 207.06426 145.3
[M-H]- 167.09382 138.4
[M+Na-2H]- 189.07577 141.9
[M]+ 168.10055 138.5
[M]- 168.10165 138.5
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.