CID 21149581

Ns00058279

Structural Information

Molecular Formula
C12H14O
SMILES
CC(C)(C1=CC=CC=C1)C(=C)C=O
InChI
InChI=1S/C12H14O/c1-10(9-13)12(2,3)11-7-5-4-6-8-11/h4-9H,1H2,2-3H3
InChIKey
CVSNPQYKVMHXNP-UHFFFAOYSA-N
Compound name
3-methyl-2-methylidene-3-phenylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 137.7
[M+Na]+ 197.093678 144.7
[M-H]- 173.097184 141.3
[M+NH4]+ 192.138283 158.0
[M+K]+ 213.067618 142.4
[M+H-H2O]+ 157.101720 132.5
[M+HCOO]- 219.102661 159.5
[M+CH3COO]- 233.118311 181.8
[M+Na-2H]- 195.079126 144.0
[M]+ 174.10391142 137.8
[M]- 174.10500858 137.8
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.