CID 171921269

2307782-53-0

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CCN1C=C(C=N1)O[C@H]2COC[C@H]2N
InChI
InChI=1S/C9H15N3O2/c1-2-12-4-7(3-11-12)14-9-6-13-5-8(9)10/h3-4,8-9H,2,5-6,10H2,1H3/t8-,9+/m1/s1
InChIKey
PCRUUJHUFNVLOX-BDAKNGLRSA-N
Compound name
(3R,4R)-4-(1-ethylpyrazol-4-yl)oxyoxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 142.0
[M+Na]+ 220.10564 149.3
[M-H]- 196.10914 146.4
[M+NH4]+ 215.15024 160.3
[M+K]+ 236.07958 149.0
[M+H-H2O]+ 180.11368 134.4
[M+HCOO]- 242.11462 163.9
[M+CH3COO]- 256.13027 183.9
[M+Na-2H]- 218.09109 144.4
[M]+ 197.11587 141.5
[M]- 197.11697 141.5
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.