CID 7393

4-tert-butylphenol

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C)(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
InChIKey
QHPQWRBYOIRBIT-UHFFFAOYSA-N
Compound name
4-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

318
References

82690
Patents

150.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.6
[M+Na]+ 173.09368 139.8
[M-H]- 149.09718 134.5
[M+NH4]+ 168.13828 152.9
[M+K]+ 189.06762 137.8
[M+H-H2O]+ 133.10172 127.2
[M+HCOO]- 195.10266 153.2
[M+CH3COO]- 209.11831 174.5
[M+Na-2H]- 171.07913 138.9
[M]+ 150.10391 131.4
[M]- 150.10501 131.4
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