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

1
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

patents stripe