CID 15693827

(z)-5-decenyl 3-methylbutanoate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCC/C=C\CCCCOC(=O)CC(C)C
InChI
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h7-8,14H,4-6,9-13H2,1-3H3/b8-7-
InChIKey
LATMVBFTWADBDD-FPLPWBNLSA-N
Compound name
[(Z)-dec-5-enyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

240.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 164.5
[M+Na]+ 263.19814 168.3
[M-H]- 239.20164 163.4
[M+NH4]+ 258.24274 182.3
[M+K]+ 279.17208 166.4
[M+H-H2O]+ 223.20618 158.6
[M+HCOO]- 285.20712 184.3
[M+CH3COO]- 299.22277 196.8
[M+Na-2H]- 261.18359 164.3
[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