CID 14293609

2-hydroxy-2-[4-(propan-2-yl)phenyl]acetonitrile

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C)C1=CC=C(C=C1)C(C#N)O
InChI
InChI=1S/C11H13NO/c1-8(2)9-3-5-10(6-4-9)11(13)7-12/h3-6,8,11,13H,1-2H3
InChIKey
FLXIHTKCTUICKQ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(4-propan-2-ylphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.09972 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 141.4
[M+Na]+ 198.088938 150.3
[M-H]- 174.092444 143.6
[M+NH4]+ 193.133543 159.1
[M+K]+ 214.062878 147.3
[M+H-H2O]+ 158.096980 129.6
[M+HCOO]- 220.097921 158.8
[M+CH3COO]- 234.113571 193.1
[M+Na-2H]- 196.074386 144.6
[M]+ 175.09917142 135.7
[M]- 175.10026858 135.7
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