CID 82413718

3-(1-methyl-1h-pyrazol-4-yl)morpholine

Structural Information

Molecular Formula
C8H13N3O
SMILES
CN1C=C(C=N1)C2COCCN2
InChI
InChI=1S/C8H13N3O/c1-11-5-7(4-10-11)8-6-12-3-2-9-8/h4-5,8-9H,2-3,6H2,1H3
InChIKey
ZJPXISVPGQJGIN-UHFFFAOYSA-N
Compound name
3-(1-methylpyrazol-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 136.4
[M+Na]+ 190.09509 143.1
[M-H]- 166.09859 137.8
[M+NH4]+ 185.13969 152.3
[M+K]+ 206.06903 141.7
[M+H-H2O]+ 150.10313 128.0
[M+HCOO]- 212.10407 153.0
[M+CH3COO]- 226.11972 148.1
[M+Na-2H]- 188.08054 141.2
[M]+ 167.10532 131.9
[M]- 167.10642 131.9
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.