CID 58951671

2,6-dicyclopropylbenzaldehyde

Structural Information

Molecular Formula
C13H14O
SMILES
C1CC1C2=C(C(=CC=C2)C3CC3)C=O
InChI
InChI=1S/C13H14O/c14-8-13-11(9-4-5-9)2-1-3-12(13)10-6-7-10/h1-3,8-10H,4-7H2
InChIKey
HWYOQLWMUUEWNA-UHFFFAOYSA-N
Compound name
2,6-dicyclopropylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

186.10446 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11174 146.3
[M+Na]+ 209.09368 154.5
[M-H]- 185.09718 156.1
[M+NH4]+ 204.13828 155.0
[M+K]+ 225.06762 152.3
[M+H-H2O]+ 169.10172 139.9
[M+HCOO]- 231.10266 167.7
[M+CH3COO]- 245.11831 196.2
[M+Na-2H]- 207.07913 149.9
[M]+ 186.10391 149.9
[M]- 186.10501 149.9
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

patents stripe