CID 6410707

4-((5-chloro-1h-1,2,3-triazol-4-yl)iminomethyl)morpholine monohydrochloride

Structural Information

Molecular Formula
C7H10ClN5O
SMILES
C1COCCN1C=NC2=NNN=C2Cl
InChI
InChI=1S/C7H10ClN5O/c8-6-7(11-12-10-6)9-5-13-1-3-14-4-2-13/h5H,1-4H2,(H,10,11,12)
InChIKey
OODNQQVRHJTQAH-UHFFFAOYSA-N
Compound name
N-(5-chloro-2H-triazol-4-yl)-1-morpholin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05739 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06467 145.9
[M+Na]+ 238.04661 153.3
[M-H]- 214.05011 146.9
[M+NH4]+ 233.09121 159.4
[M+K]+ 254.02055 150.5
[M+H-H2O]+ 198.05465 135.9
[M+HCOO]- 260.05559 159.2
[M+CH3COO]- 274.07124 156.7
[M+Na-2H]- 236.03206 151.2
[M]+ 215.05684 143.4
[M]- 215.05794 143.4
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

No patent data available for this compound.