CID 95595

2-propenal, 3-[4-(1-methylethyl)phenyl]-

Structural Information

Molecular Formula
C12H14O
SMILES
CC(C)C1=CC=C(C=C1)C=CC=O
InChI
InChI=1S/C12H14O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h3-10H,1-2H3
InChIKey
MHGRIUPTPRZPJP-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

174.10446 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.11174 137.7
[M+Na]+ 197.09368 145.3
[M-H]- 173.09718 141.4
[M+NH4]+ 192.13828 158.3
[M+K]+ 213.06762 142.5
[M+H-H2O]+ 157.10172 132.1
[M+HCOO]- 219.10266 161.0
[M+CH3COO]- 233.11831 182.0
[M+Na-2H]- 195.07913 142.6
[M]+ 174.10391 138.5
[M]- 174.10501 138.5
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