CID 20545598

2-butoxyheptane

Structural Information

Molecular Formula
C11H24O
SMILES
CCCCCC(C)OCCCC
InChI
InChI=1S/C11H24O/c1-4-6-8-9-11(3)12-10-7-5-2/h11H,4-10H2,1-3H3
InChIKey
ROBJIIRYIAVPAV-UHFFFAOYSA-N
Compound name
2-butoxyheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

172.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.18999 145.5
[M+Na]+ 195.17193 150.4
[M-H]- 171.17543 145.0
[M+NH4]+ 190.21653 166.2
[M+K]+ 211.14587 149.9
[M+H-H2O]+ 155.17997 140.3
[M+HCOO]- 217.18091 166.9
[M+CH3COO]- 231.19656 185.3
[M+Na-2H]- 193.15738 148.6
[M]+ 172.18216 149.5
[M]- 172.18326 149.5
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

patents stripe