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]+ 211.16927 149.5
[M+Na]+ 233.15121 156.7
[M-H]- 209.15471 148.6
[M+NH4]+ 228.19581 166.7
[M+K]+ 249.12515 154.7
[M+H-H2O]+ 193.15925 138.3
[M+HCOO]- 255.16019 164.8
[M+CH3COO]- 269.17584 196.6
[M+Na-2H]- 231.13666 150.5
[M]+ 210.16144 148.0
[M]- 210.16254 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.