CID 10825540

173074-85-6

Structural Information

Molecular Formula
C18H32O
SMILES
CCCCCCCC/C=C\CCCCC1CCC1=O
InChI
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16-18(17)19/h9-10,17H,2-8,11-16H2,1H3/b10-9-
InChIKey
ITFDRFJPWYWSMZ-KTKRTIGZSA-N
Compound name
2-[(Z)-tetradec-5-enyl]cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.24533 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 169.3
[M+Na]+ 287.23455 171.6
[M-H]- 263.23805 171.0
[M+NH4]+ 282.27915 179.9
[M+K]+ 303.20849 170.5
[M+H-H2O]+ 247.24259 157.9
[M+HCOO]- 309.24353 188.2
[M+CH3COO]- 323.25918 204.9
[M+Na-2H]- 285.22000 169.2
[M]+ 264.24478 181.0
[M]- 264.24588 181.0
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

No patent data available for this compound.