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]+ 265.252606 169.3
[M+Na]+ 287.234548 171.6
[M-H]- 263.238054 171.0
[M+NH4]+ 282.279153 179.9
[M+K]+ 303.208488 170.5
[M+H-H2O]+ 247.242590 157.9
[M+HCOO]- 309.243531 188.2
[M+CH3COO]- 323.259181 204.9
[M+Na-2H]- 285.219996 169.2
[M]+ 264.24478142 181.0
[M]- 264.24587858 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.