CID 5366295

Heptane, 1-(1-butenyloxy)-, (e)-

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCCCCO/C=C/CC
InChI
InChI=1S/C11H22O/c1-3-5-7-8-9-11-12-10-6-4-2/h6,10H,3-5,7-9,11H2,1-2H3/b10-6+
InChIKey
QVOKCWHGLQFWFQ-UXBLZVDNSA-N
Compound name
1-[(E)-but-1-enoxy]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 143.3
[M+Na]+ 193.156288 148.9
[M-H]- 169.159794 142.8
[M+NH4]+ 188.200893 164.2
[M+K]+ 209.130228 147.4
[M+H-H2O]+ 153.164330 138.2
[M+HCOO]- 215.165271 166.0
[M+CH3COO]- 229.180921 182.9
[M+Na-2H]- 191.141736 147.9
[M]+ 170.16652142 147.3
[M]- 170.16761858 147.3
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.