CID 61027

Butyl undec-10-enoate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCOC(=O)CCCCCCCCC=C
InChI
InChI=1S/C15H28O2/c1-3-5-7-8-9-10-11-12-13-15(16)17-14-6-4-2/h3H,1,4-14H2,2H3
InChIKey
GRAORJFMGCQWRN-UHFFFAOYSA-N
Compound name
butyl undec-10-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

503
Patents

240.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 163.8
[M+Na]+ 263.19814 167.7
[M-H]- 239.20164 162.6
[M+NH4]+ 258.24274 181.6
[M+K]+ 279.17208 165.3
[M+H-H2O]+ 223.20618 157.7
[M+HCOO]- 285.20712 184.5
[M+CH3COO]- 299.22277 196.7
[M+Na-2H]- 261.18359 164.8
[M]+ 240.20837 169.3
[M]- 240.20947 169.3
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