CID 71435709

2-benzylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C11H12O
SMILES
C1C(C1C=O)CC2=CC=CC=C2
InChI
InChI=1S/C11H12O/c12-8-11-7-10(11)6-9-4-2-1-3-5-9/h1-5,8,10-11H,6-7H2
InChIKey
SQBGPKWXKCEUGN-UHFFFAOYSA-N
Compound name
2-benzylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

160.08882 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 131.9
[M+Na]+ 183.07804 141.6
[M-H]- 159.08154 139.7
[M+NH4]+ 178.12264 148.1
[M+K]+ 199.05198 138.6
[M+H-H2O]+ 143.08608 125.5
[M+HCOO]- 205.08702 156.9
[M+CH3COO]- 219.10267 181.6
[M+Na-2H]- 181.06349 139.1
[M]+ 160.08827 134.8
[M]- 160.08937 134.8
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

patents stripe