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

1392
Patents

238.15689 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.16417 155.6
[M+Na]+ 261.14611 163.6
[M-H]- 237.14961 158.3
[M+NH4]+ 256.19071 173.7
[M+K]+ 277.12005 161.8
[M+H-H2O]+ 221.15415 150.2
[M+HCOO]- 283.15509 176.1
[M+CH3COO]- 297.17074 193.1
[M+Na-2H]- 259.13156 159.4
[M]+ 238.15634 160.4
[M]- 238.15744 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