CID 86812166

1808323-72-9

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1=C(C(=NN1C)C)[C@@H]2[C@H](CCO2)C(=O)O
InChI
InChI=1S/C11H16N2O3/c1-6-9(7(2)13(3)12-6)10-8(11(14)15)4-5-16-10/h8,10H,4-5H2,1-3H3,(H,14,15)/t8-,10-/m0/s1
InChIKey
VOHQSEWJVVPGDD-WPRPVWTQSA-N
Compound name
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.7
[M+Na]+ 247.10531 158.4
[M-H]- 223.10881 154.0
[M+NH4]+ 242.14991 167.3
[M+K]+ 263.07925 157.5
[M+H-H2O]+ 207.11335 143.6
[M+HCOO]- 269.11429 168.5
[M+CH3COO]- 283.12994 187.7
[M+Na-2H]- 245.09076 148.7
[M]+ 224.11554 150.8
[M]- 224.11664 150.8
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.