CID 62876

(2-(1-butoxyethoxy)ethyl)benzene

Structural Information

Molecular Formula
C14H22O2
SMILES
CCCCOC(C)OCCC1=CC=CC=C1
InChI
InChI=1S/C14H22O2/c1-3-4-11-15-13(2)16-12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3
InChIKey
JBEADRDKGADTFN-UHFFFAOYSA-N
Compound name
2-(1-butoxyethoxy)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

49
Patents

222.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 153.4
[M+Na]+ 245.15121 165.1
[M+NH4]+ 240.19581 161.6
[M+K]+ 261.12515 157.7
[M-H]- 221.15471 155.5
[M+Na-2H]- 243.13666 159.6
[M]+ 222.16144 155.6
[M]- 222.16254 155.6
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

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