CID 56936034

Isopropyl 5z-dodecenoate

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCC/C=C\CCCC(=O)OC(C)C
InChI
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h9-10,14H,4-8,11-13H2,1-3H3/b10-9-
InChIKey
FZKDUKQTAKMKBR-KTKRTIGZSA-N
Compound name
propan-2-yl (Z)-dodec-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.