CID 135770346

4-(imino(5-methoxy-1h-1,2,3-triazol-4-yl)methyl)morpholine monohydrochloride

Structural Information

Molecular Formula
C8H13N5O2
SMILES
COC1=NNN=C1C(=N)N2CCOCC2
InChI
InChI=1S/C8H13N5O2/c1-14-8-6(10-12-11-8)7(9)13-2-4-15-5-3-13/h9H,2-5H2,1H3,(H,10,11,12)
InChIKey
KHSYWVWWGWSFSH-UHFFFAOYSA-N
Compound name
(5-methoxy-2H-triazol-4-yl)-morpholin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10692 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11420 147.2
[M+Na]+ 234.09614 153.0
[M-H]- 210.09964 147.5
[M+NH4]+ 229.14074 159.4
[M+K]+ 250.07008 151.6
[M+H-H2O]+ 194.10418 137.5
[M+HCOO]- 256.10512 162.9
[M+CH3COO]- 270.12077 183.3
[M+Na-2H]- 232.08159 151.2
[M]+ 211.10637 142.6
[M]- 211.10747 142.6
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.