CID 122164200

1955524-28-3

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN1C=C(C=N1)[C@H]2[C@@H](CCO2)C=O
InChI
InChI=1S/C9H12N2O2/c1-11-5-8(4-10-11)9-7(6-12)2-3-13-9/h4-7,9H,2-3H2,1H3/t7-,9+/m0/s1
InChIKey
RUTFIYQYMWCDQV-IONNQARKSA-N
Compound name
(2R,3R)-2-(1-methylpyrazol-4-yl)oxolane-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 137.1
[M+Na]+ 203.07909 145.7
[M-H]- 179.08259 142.0
[M+NH4]+ 198.12369 156.7
[M+K]+ 219.05303 145.3
[M+H-H2O]+ 163.08713 130.2
[M+HCOO]- 225.08807 158.8
[M+CH3COO]- 239.10372 178.8
[M+Na-2H]- 201.06454 139.9
[M]+ 180.08932 137.7
[M]- 180.09042 137.7
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.