CID 495351

Nsc650876

Structural Information

Molecular Formula
C17H30O
SMILES
CCCCCC#COC1CC(CCC1C(C)C)C
InChI
InChI=1S/C17H30O/c1-5-6-7-8-9-12-18-17-13-15(4)10-11-16(17)14(2)3/h14-17H,5-8,10-11,13H2,1-4H3
InChIKey
WNHSZEDZLLRHMD-UHFFFAOYSA-N
Compound name
2-hept-1-ynoxy-4-methyl-1-propan-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.22966 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.23694 160.1
[M+Na]+ 273.21888 166.3
[M-H]- 249.22238 161.3
[M+NH4]+ 268.26348 176.0
[M+K]+ 289.19282 161.8
[M+H-H2O]+ 233.22692 148.4
[M+HCOO]- 295.22786 172.2
[M+CH3COO]- 309.24351 205.0
[M+Na-2H]- 271.20433 158.8
[M]+ 250.22911 154.4
[M]- 250.23021 154.4
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.