CID 2374

2,5-di-tert-butylhydroquinone

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
InChI
InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3
InChIKey
JZODKRWQWUWGCD-UHFFFAOYSA-N
Compound name
2,5-ditert-butylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

253
References

35747
Patents

222.16199 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 152.0
[M+Na]+ 245.15121 160.2
[M-H]- 221.15471 153.8
[M+NH4]+ 240.19581 170.3
[M+K]+ 261.12515 157.5
[M+H-H2O]+ 205.15925 148.0
[M+HCOO]- 267.16019 169.2
[M+CH3COO]- 281.17584 188.4
[M+Na-2H]- 243.13666 156.3
[M]+ 222.16144 152.9
[M]- 222.16254 152.9
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