CID 43436620

2-(4-tert-butylphenyl)-2-hydroxyacetonitrile

Structural Information

Molecular Formula
C12H15NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C#N)O
InChI
InChI=1S/C12H15NO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11,14H,1-3H3
InChIKey
IDVNRVASEIMNBY-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-2-hydroxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.11537 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 147.7
[M+Na]+ 212.104588 156.7
[M-H]- 188.108094 150.0
[M+NH4]+ 207.149193 165.1
[M+K]+ 228.078528 153.7
[M+H-H2O]+ 172.112630 136.2
[M+HCOO]- 234.113571 164.3
[M+CH3COO]- 248.129221 194.7
[M+Na-2H]- 210.090036 151.9
[M]+ 189.11482142 142.3
[M]- 189.11591858 142.3
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