CID 122155808

1955547-23-5

Structural Information

Molecular Formula
C10H17N3O
SMILES
CC(C)N1C=C(C=N1)[C@H]2[C@@H](CCO2)N
InChI
InChI=1S/C10H17N3O/c1-7(2)13-6-8(5-12-13)10-9(11)3-4-14-10/h5-7,9-10H,3-4,11H2,1-2H3/t9-,10+/m1/s1
InChIKey
UEQYVPMKGQPTFU-ZJUUUORDSA-N
Compound name
(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.144436 144.9
[M+Na]+ 218.126378 151.7
[M-H]- 194.129884 149.4
[M+NH4]+ 213.170983 163.4
[M+K]+ 234.100318 151.1
[M+H-H2O]+ 178.134420 137.5
[M+HCOO]- 240.135361 165.4
[M+CH3COO]- 254.151011 185.7
[M+Na-2H]- 216.111826 145.5
[M]+ 195.13661142 142.8
[M]- 195.13770858 142.8
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.