CID 378999

Nsc662769

Structural Information

Molecular Formula
C17H29NO3
SMILES
CC1(CC(=NO1)C(C)(CCCC=C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C17H29NO3/c1-8-9-10-11-17(7,14(19)20-15(2,3)4)13-12-16(5,6)21-18-13/h8H,1,9-12H2,2-7H3
InChIKey
BSUMOLFBIWAZJZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-2-methylhept-6-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.22203 171.6
[M+Na]+ 318.20397 177.6
[M-H]- 294.20747 174.1
[M+NH4]+ 313.24857 188.7
[M+K]+ 334.17791 177.2
[M+H-H2O]+ 278.21201 167.1
[M+HCOO]- 340.21295 187.7
[M+CH3COO]- 354.22860 203.7
[M+Na-2H]- 316.18942 175.3
[M]+ 295.21420 176.8
[M]- 295.21530 176.8
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.