CID 22336618

421546-91-0

Structural Information

Molecular Formula
C14H22O3
SMILES
CC(C)(C)C1=CC(=C(C(=C1)COC)O)COC
InChI
InChI=1S/C14H22O3/c1-14(2,3)12-6-10(8-16-4)13(15)11(7-12)9-17-5/h6-7,15H,8-9H2,1-5H3
InChIKey
SHDBJOYDLRRTRA-UHFFFAOYSA-N
Compound name
4-tert-butyl-2,6-bis(methoxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1198
Patents

238.15689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.164166 155.6
[M+Na]+ 261.146108 163.6
[M-H]- 237.149614 158.3
[M+NH4]+ 256.190713 173.7
[M+K]+ 277.120048 161.8
[M+H-H2O]+ 221.154150 150.2
[M+HCOO]- 283.155091 176.1
[M+CH3COO]- 297.170741 193.1
[M+Na-2H]- 259.131556 159.4
[M]+ 238.15634142 160.4
[M]- 238.15743858 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe