CID 53422121

60988-94-5

Structural Information

Molecular Formula
C13H18O
SMILES
CCC(=O)C=CC1C(C2CC1C=C2)C
InChI
InChI=1S/C13H18O/c1-3-12(14)6-7-13-9(2)10-4-5-11(13)8-10/h4-7,9-11,13H,3,8H2,1-2H3
InChIKey
MSQLZRZGIRNXDS-UHFFFAOYSA-N
Compound name
1-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)pent-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 147.9
[M+Na]+ 213.124988 155.4
[M-H]- 189.128494 150.8
[M+NH4]+ 208.169593 173.1
[M+K]+ 229.098928 152.1
[M+H-H2O]+ 173.133030 143.8
[M+HCOO]- 235.133971 168.9
[M+CH3COO]- 249.149621 185.9
[M+Na-2H]- 211.110436 148.6
[M]+ 190.13522142 148.6
[M]- 190.13631858 148.6
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.