CID 556516

2-caren-10-al

Structural Information

Molecular Formula
C10H14O
SMILES
CC1(C2C1C=C(CC2)C=O)C
InChI
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5-6,8-9H,3-4H2,1-2H3
InChIKey
RAHRTJHAYXOITA-UHFFFAOYSA-N
Compound name
7,7-dimethylbicyclo[4.1.0]hept-2-ene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

150.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.8
[M+Na]+ 173.09368 146.9
[M+NH4]+ 168.13828 144.6
[M+K]+ 189.06762 139.7
[M-H]- 149.09718 142.3
[M+Na-2H]- 171.07913 142.1
[M]+ 150.10391 138.9
[M]- 150.10501 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe