CID 44152699

Einecs 300-604-7

Structural Information

Molecular Formula
C14H20O
SMILES
C/C=C/C(=O)C1=C(CC2C(C1)C2(C)C)C
InChI
InChI=1S/C14H20O/c1-5-6-13(15)10-8-12-11(7-9(10)2)14(12,3)4/h5-6,11-12H,7-8H2,1-4H3/b6-5+
InChIKey
VRAUAPMNLFSVNI-AATRIKPKSA-N
Compound name
(E)-1-(4,7,7-trimethyl-3-bicyclo[4.1.0]hept-3-enyl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 147.4
[M+Na]+ 227.14063 160.8
[M+NH4]+ 222.18523 158.1
[M+K]+ 243.11457 153.5
[M-H]- 203.14413 156.3
[M+Na-2H]- 225.12608 155.1
[M]+ 204.15086 153.1
[M]- 204.15196 153.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.