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]+ 176.070596 135.0
[M+Na]+ 198.052538 146.1
[M-H]- 174.056044 138.8
[M+NH4]+ 193.097143 153.6
[M+K]+ 214.026478 143.4
[M+H-H2O]+ 158.060580 123.1
[M+HCOO]- 220.061521 156.3
[M+CH3COO]- 234.077171 193.3
[M+Na-2H]- 196.037986 141.0
[M]+ 175.06277142 132.9
[M]- 175.06386858 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.