CID 137952286

2219353-41-8

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC(C)(C)C1=COC(=N1)[C@H]2CCCN2
InChI
InChI=1S/C11H18N2O/c1-11(2,3)9-7-14-10(13-9)8-5-4-6-12-8/h7-8,12H,4-6H2,1-3H3/t8-/m1/s1
InChIKey
ZQVXKSLCFZMMNO-MRVPVSSYSA-N
Compound name
4-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 145.6
[M+Na]+ 217.131118 152.3
[M-H]- 193.134624 148.9
[M+NH4]+ 212.175723 164.0
[M+K]+ 233.105058 151.1
[M+H-H2O]+ 177.139160 139.2
[M+HCOO]- 239.140101 163.3
[M+CH3COO]- 253.155751 179.6
[M+Na-2H]- 215.116566 148.4
[M]+ 194.14135142 143.4
[M]- 194.14244858 143.4
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.