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 133.0
[M+Na]+ 173.09368 143.7
[M-H]- 149.09718 138.9
[M+NH4]+ 168.13828 152.9
[M+K]+ 189.06762 141.5
[M+H-H2O]+ 133.10172 128.4
[M+HCOO]- 195.10266 154.3
[M+CH3COO]- 209.11831 181.5
[M+Na-2H]- 171.07913 140.3
[M]+ 150.10391 136.1
[M]- 150.10501 136.1
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.