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
5
Annotation Hits

0
References

52
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 154.3
[M+Na]+ 245.15121 159.2
[M-H]- 221.15471 156.9
[M+NH4]+ 240.19581 172.5
[M+K]+ 261.12515 157.6
[M+H-H2O]+ 205.15925 147.5
[M+HCOO]- 267.16019 176.6
[M+CH3COO]- 281.17584 191.3
[M+Na-2H]- 243.13666 158.5
[M]+ 222.16144 158.3
[M]- 222.16254 158.3
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