CID 61736624

2-(5-methyl-1h-1,2,4-triazol-3-yl)morpholine hydrochloride

Structural Information

Molecular Formula
C7H12N4O
SMILES
CC1=NC(=NN1)C2CNCCO2
InChI
InChI=1S/C7H12N4O/c1-5-9-7(11-10-5)6-4-8-2-3-12-6/h6,8H,2-4H2,1H3,(H,9,10,11)
InChIKey
VBDUKNRDDGJJLR-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-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

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 137.7
[M+Na]+ 191.09032 144.4
[M-H]- 167.09382 136.5
[M+NH4]+ 186.13492 151.5
[M+K]+ 207.06426 142.1
[M+H-H2O]+ 151.09836 128.7
[M+HCOO]- 213.09930 151.7
[M+CH3COO]- 227.11495 148.3
[M+Na-2H]- 189.07577 142.2
[M]+ 168.10055 131.6
[M]- 168.10165 131.6
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.