CID 154814434

2551115-01-4

Structural Information

Molecular Formula
C8H12N2O2
SMILES
CN1C2=C(COCC2)C(=N1)CO
InChI
InChI=1S/C8H12N2O2/c1-10-8-2-3-12-5-6(8)7(4-11)9-10/h11H,2-5H2,1H3
InChIKey
XMPNORUQSBRMQN-UHFFFAOYSA-N
Compound name
(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 134.7
[M+Na]+ 191.07909 146.2
[M+NH4]+ 186.12369 142.7
[M+K]+ 207.05303 143.0
[M-H]- 167.08259 136.1
[M+Na-2H]- 189.06454 138.0
[M]+ 168.08932 136.5
[M]- 168.09042 136.5
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.