CID 122163866

[5-(1h-pyrazol-5-yl)oxolan-2-yl]methanamine

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CC(OC1CN)C2=CC=NN2
InChI
InChI=1S/C8H13N3O/c9-5-6-1-2-8(12-6)7-3-4-10-11-7/h3-4,6,8H,1-2,5,9H2,(H,10,11)
InChIKey
VTMGMNUDLLSXDI-UHFFFAOYSA-N
Compound name
[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 135.0
[M+Na]+ 190.09509 141.5
[M-H]- 166.09859 137.8
[M+NH4]+ 185.13969 153.5
[M+K]+ 206.06903 140.1
[M+H-H2O]+ 150.10313 127.6
[M+HCOO]- 212.10407 155.6
[M+CH3COO]- 226.11972 147.4
[M+Na-2H]- 188.08054 138.1
[M]+ 167.10532 130.6
[M]- 167.10642 130.6
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.