CID 178199923

2-(4-formyl-3-methylphenoxy)acetonitrile

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=C(C=CC(=C1)OCC#N)C=O
InChI
InChI=1S/C10H9NO2/c1-8-6-10(13-5-4-11)3-2-9(8)7-12/h2-3,6-7H,5H2,1H3
InChIKey
NBGOMCDQNZIFNE-UHFFFAOYSA-N
Compound name
2-(4-formyl-3-methylphenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 135.0
[M+Na]+ 198.05254 146.1
[M-H]- 174.05604 138.8
[M+NH4]+ 193.09714 153.6
[M+K]+ 214.02648 143.4
[M+H-H2O]+ 158.06058 123.1
[M+HCOO]- 220.06152 156.3
[M+CH3COO]- 234.07717 193.3
[M+Na-2H]- 196.03799 141.0
[M]+ 175.06277 132.9
[M]- 175.06387 132.9
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

No patent data available for this compound.