CID 66911

1,4-dibutoxybenzene

Structural Information

Molecular Formula
C14H22O2
SMILES
CCCCOC1=CC=C(C=C1)OCCCC
InChI
InChI=1S/C14H22O2/c1-3-5-11-15-13-7-9-14(10-8-13)16-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKey
ZROGCHDPRZRKTI-UHFFFAOYSA-N
Compound name
1,4-dibutoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

5461
Patents

222.16199 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.169266 153.1
[M+Na]+ 245.151208 159.3
[M-H]- 221.154714 156.1
[M+NH4]+ 240.195813 171.7
[M+K]+ 261.125148 157.2
[M+H-H2O]+ 205.159250 146.4
[M+HCOO]- 267.160191 176.5
[M+CH3COO]- 281.175841 191.6
[M+Na-2H]- 243.136656 157.9
[M]+ 222.16144142 158.1
[M]- 222.16253858 158.1
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