CID 82266190

4-hydroxy-2,3,6-trimethylbenzonitrile

Structural Information

Molecular Formula
C10H11NO
SMILES
CC1=CC(=C(C(=C1C#N)C)C)O
InChI
InChI=1S/C10H11NO/c1-6-4-10(12)8(3)7(2)9(6)5-11/h4,12H,1-3H3
InChIKey
FCRMBUMMEROWJN-UHFFFAOYSA-N
Compound name
4-hydroxy-2,3,6-trimethylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

161.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 133.1
[M+Na]+ 184.07328 145.2
[M-H]- 160.07678 136.5
[M+NH4]+ 179.11788 152.3
[M+K]+ 200.04722 142.1
[M+H-H2O]+ 144.08132 122.2
[M+HCOO]- 206.08226 152.7
[M+CH3COO]- 220.09791 192.0
[M+Na-2H]- 182.05873 137.4
[M]+ 161.08351 129.4
[M]- 161.08461 129.4
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