CID 21866310

1-(2-tetrahydropyranyl)-1h-pyrazole

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1CCOC(C1)N2C=CC=N2
InChI
InChI=1S/C8H12N2O/c1-2-7-11-8(4-1)10-6-3-5-9-10/h3,5-6,8H,1-2,4,7H2
InChIKey
IMZWSOSYNFVECD-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

467
Patents

152.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.7
[M+Na]+ 175.08418 136.8
[M-H]- 151.08768 134.5
[M+NH4]+ 170.12878 149.0
[M+K]+ 191.05812 136.6
[M+H-H2O]+ 135.09222 122.7
[M+HCOO]- 197.09316 150.2
[M+CH3COO]- 211.10881 143.5
[M+Na-2H]- 173.06963 136.9
[M]+ 152.09441 127.1
[M]- 152.09551 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe