CID 15600197

(1s,6r)-7,7-dimethylbicyclo(4.1.0)hept-3-ene-3-carbaldehyde

Structural Information

Molecular Formula
C10H14O
SMILES
CC1([C@H]2[C@@H]1CC(=CC2)C=O)C
InChI
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h3,6,8-9H,4-5H2,1-2H3/t8-,9+/m1/s1
InChIKey
UUEWWPMRAWHKBO-BDAKNGLRSA-N
Compound name
(1S,6R)-7,7-dimethylbicyclo[4.1.0]hept-3-ene-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

2.0
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

No patent data available for this compound.