CID 90849558

111174-63-1

Structural Information

Molecular Formula
C18H35O
SMILES
CC(C)CCCCCCCCCCCCCC[C]=O
InChI
InChI=1S/C18H35O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18H,3-16H2,1-2H3
InChIKey
KMYBYMKQJABYNV-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

267.2688 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.27608 175.7
[M+Na]+ 290.25802 178.0
[M-H]- 266.26152 173.8
[M+NH4]+ 285.30262 192.4
[M+K]+ 306.23196 175.0
[M+H-H2O]+ 250.26606 169.1
[M+HCOO]- 312.26700 194.9
[M+CH3COO]- 326.28265 205.3
[M+Na-2H]- 288.24347 175.1
[M]+ 267.26825 181.6
[M]- 267.26935 181.6
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.