CID 530411

5-isopropylbicyclo[3.1.0]hex-2-ene-2-carbaldehyde

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C)C12CC=C(C1C2)C=O
InChI
InChI=1S/C10H14O/c1-7(2)10-4-3-8(6-11)9(10)5-10/h3,6-7,9H,4-5H2,1-2H3
InChIKey
YZNIFKFTGCAOST-UHFFFAOYSA-N
Compound name
5-propan-2-ylbicyclo[3.1.0]hex-2-ene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

150.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 133.0
[M+Na]+ 173.093678 143.6
[M-H]- 149.097184 138.8
[M+NH4]+ 168.138283 154.3
[M+K]+ 189.067618 141.2
[M+H-H2O]+ 133.101720 129.0
[M+HCOO]- 195.102661 155.3
[M+CH3COO]- 209.118311 181.0
[M+Na-2H]- 171.079126 138.6
[M]+ 150.10391142 137.2
[M]- 150.10500858 137.2
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