CID 203762

4-isoamylresorcinol

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)CCC1=C(C=C(C=C1)O)O
InChI
InChI=1S/C11H16O2/c1-8(2)3-4-9-5-6-10(12)7-11(9)13/h5-8,12-13H,3-4H2,1-2H3
InChIKey
NYARJMRXCRSQPJ-UHFFFAOYSA-N
Compound name
4-(3-methylbutyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

372
Patents

180.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 140.0
[M+Na]+ 203.10426 147.3
[M-H]- 179.10776 141.3
[M+NH4]+ 198.14886 159.2
[M+K]+ 219.07820 144.7
[M+H-H2O]+ 163.11230 134.9
[M+HCOO]- 225.11324 160.4
[M+CH3COO]- 239.12889 179.3
[M+Na-2H]- 201.08971 143.5
[M]+ 180.11449 139.9
[M]- 180.11559 139.9
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