CID 18329925

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

Structural Information

Molecular Formula
C7H12N4O
SMILES
C1COC(CN1)CN2C=CN=N2
InChI
InChI=1S/C7H12N4O/c1-3-11(10-9-1)6-7-5-8-2-4-12-7/h1,3,7-8H,2,4-6H2
InChIKey
OQVKNUFHZYWIPE-UHFFFAOYSA-N
Compound name
2-(triazol-1-ylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.1011 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10838 136.2
[M+Na]+ 191.09032 142.2
[M-H]- 167.09382 135.8
[M+NH4]+ 186.13492 150.2
[M+K]+ 207.06426 141.0
[M+H-H2O]+ 151.09836 126.5
[M+HCOO]- 213.09930 151.6
[M+CH3COO]- 227.11495 147.1
[M+Na-2H]- 189.07577 141.9
[M]+ 168.10055 131.4
[M]- 168.10165 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