CID 122164438

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

Structural Information

Molecular Formula
C10H17N3O
SMILES
CN1C(=CC=N1)[C@H]2[C@@H](CCCO2)CN
InChI
InChI=1S/C10H17N3O/c1-13-9(4-5-12-13)10-8(7-11)3-2-6-14-10/h4-5,8,10H,2-3,6-7,11H2,1H3/t8-,10+/m0/s1
InChIKey
YHWLQRJYWUMHEZ-WCBMZHEXSA-N
Compound name
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 144.7
[M+Na]+ 218.126378 151.0
[M-H]- 194.129884 148.5
[M+NH4]+ 213.170983 161.3
[M+K]+ 234.100318 149.6
[M+H-H2O]+ 178.134420 136.5
[M+HCOO]- 240.135361 163.9
[M+CH3COO]- 254.151011 184.8
[M+Na-2H]- 216.111826 147.9
[M]+ 195.13661142 141.0
[M]- 195.13770858 141.0
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.