CID 163409

84282-44-0

Structural Information

Molecular Formula
C13H22O2
SMILES
CCCCCCC#CC(=O)OCC(C)C
InChI
InChI=1S/C13H22O2/c1-4-5-6-7-8-9-10-13(14)15-11-12(2)3/h12H,4-8,11H2,1-3H3
InChIKey
TULZIKLJXPEPLR-UHFFFAOYSA-N
Compound name
2-methylpropyl non-2-ynoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 149.5
[M+Na]+ 233.151208 156.7
[M-H]- 209.154714 148.6
[M+NH4]+ 228.195813 166.7
[M+K]+ 249.125148 154.7
[M+H-H2O]+ 193.159250 138.3
[M+HCOO]- 255.160191 164.8
[M+CH3COO]- 269.175841 196.6
[M+Na-2H]- 231.136656 150.5
[M]+ 210.16144142 148.0
[M]- 210.16253858 148.0
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.