CID 11063054

Methyl dec-9-ynoate

Structural Information

Molecular Formula
C11H18O2
SMILES
COC(=O)CCCCCCCC#C
InChI
InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h1H,4-10H2,2H3
InChIKey
SXKMLYGXKLNTRS-UHFFFAOYSA-N
Compound name
methyl dec-9-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

182.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 139.7
[M+Na]+ 205.11990 147.7
[M-H]- 181.12340 139.0
[M+NH4]+ 200.16450 157.8
[M+K]+ 221.09384 145.8
[M+H-H2O]+ 165.12794 128.7
[M+HCOO]- 227.12888 156.4
[M+CH3COO]- 241.14453 191.7
[M+Na-2H]- 203.10535 142.9
[M]+ 182.13013 138.3
[M]- 182.13123 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe