CID 95970483

Rac-[(2r,3s)-2-(trimethyl-1h-pyrazol-4-yl)oxolan-3-yl]methanamine

Structural Information

Molecular Formula
C11H19N3O
SMILES
CC1=C(C(=NN1C)C)[C@H]2[C@@H](CCO2)CN
InChI
InChI=1S/C11H19N3O/c1-7-10(8(2)14(3)13-7)11-9(6-12)4-5-15-11/h9,11H,4-6,12H2,1-3H3/t9-,11+/m0/s1
InChIKey
ULNUKJVDCAEMRH-GXSJLCMTSA-N
Compound name
[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.15282 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.160096 149.1
[M+Na]+ 232.142038 157.6
[M-H]- 208.145544 154.0
[M+NH4]+ 227.186643 167.7
[M+K]+ 248.115978 156.1
[M+H-H2O]+ 192.150080 142.1
[M+HCOO]- 254.151021 170.2
[M+CH3COO]- 268.166671 190.2
[M+Na-2H]- 230.127486 149.0
[M]+ 209.15227142 148.8
[M]- 209.15336858 148.8
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.