CID 98042451

2227829-30-1

Structural Information

Molecular Formula
C10H16N2O
SMILES
CC(C)C1=COC(=N1)[C@@H]2CCCN2
InChI
InChI=1S/C10H16N2O/c1-7(2)9-6-13-10(12-9)8-4-3-5-11-8/h6-8,11H,3-5H2,1-2H3/t8-/m0/s1
InChIKey
BHVXSERHHPYGHD-QMMMGPOBSA-N
Compound name
4-propan-2-yl-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.13355 141.3
[M+Na]+ 203.11549 147.6
[M-H]- 179.11899 144.5
[M+NH4]+ 198.16009 160.0
[M+K]+ 219.08943 146.7
[M+H-H2O]+ 163.12353 134.3
[M+HCOO]- 225.12447 159.8
[M+CH3COO]- 239.14012 177.8
[M+Na-2H]- 201.10094 142.5
[M]+ 180.12572 138.7
[M]- 180.12682 138.7
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.