CID 56936037

Isopropyl 9z-dodecenoate

Structural Information

Molecular Formula
C15H28O2
SMILES
CC/C=C\CCCCCCCC(=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/h5-6,14H,4,7-13H2,1-3H3/b6-5-
InChIKey
MMOMOOUGAHBPEF-WAYWQWQTSA-N
Compound name
propan-2-yl (Z)-dodec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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

literature stripe

Patent stripe

patents stripe