CID 121553712

1909293-53-3

Structural Information

Molecular Formula
C8H13N3O
SMILES
CN1C=C(C=N1)[C@H]2[C@@H](CCO2)N
InChI
InChI=1S/C8H13N3O/c1-11-5-6(4-10-11)8-7(9)2-3-12-8/h4-5,7-8H,2-3,9H2,1H3/t7-,8+/m1/s1
InChIKey
JWHDQIBDWOXMLS-SFYZADRCSA-N
Compound name
(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 134.9
[M+Na]+ 190.09509 142.8
[M-H]- 166.09859 139.5
[M+NH4]+ 185.13969 154.5
[M+K]+ 206.06903 142.2
[M+H-H2O]+ 150.10313 127.7
[M+HCOO]- 212.10407 157.0
[M+CH3COO]- 226.11972 178.8
[M+Na-2H]- 188.08054 137.7
[M]+ 167.10532 132.7
[M]- 167.10642 132.7
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.