CID 122164258

Rac-[(2r,3s)-2-(1-ethyl-1h-pyrazol-5-yl)oxan-3-yl]methanamine

Structural Information

Molecular Formula
C11H19N3O
SMILES
CCN1C(=CC=N1)[C@H]2[C@@H](CCCO2)CN
InChI
InChI=1S/C11H19N3O/c1-2-14-10(5-6-13-14)11-9(8-12)4-3-7-15-11/h5-6,9,11H,2-4,7-8,12H2,1H3/t9-,11+/m0/s1
InChIKey
VYEOVTOVVBEVJI-GXSJLCMTSA-N
Compound name
[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.15282 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.160096 149.3
[M+Na]+ 232.142038 155.1
[M-H]- 208.145544 152.8
[M+NH4]+ 227.186643 165.3
[M+K]+ 248.115978 153.4
[M+H-H2O]+ 192.150080 140.9
[M+HCOO]- 254.151021 168.1
[M+CH3COO]- 268.166671 187.8
[M+Na-2H]- 230.127486 151.9
[M]+ 209.15227142 145.9
[M]- 209.15336858 145.9
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.