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]+ 181.133546 141.3
[M+Na]+ 203.115488 147.6
[M-H]- 179.118994 144.5
[M+NH4]+ 198.160093 160.0
[M+K]+ 219.089428 146.7
[M+H-H2O]+ 163.123530 134.3
[M+HCOO]- 225.124471 159.8
[M+CH3COO]- 239.140121 177.8
[M+Na-2H]- 201.100936 142.5
[M]+ 180.12572142 138.7
[M]- 180.12681858 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.