CID 145912922

2378490-14-1

Structural Information

Molecular Formula
C8H10O
SMILES
C=C1C[C@@H]2C[C@H]1CC2=O
InChI
InChI=1S/C8H10O/c1-5-2-7-3-6(5)4-8(7)9/h6-7H,1-4H2/t6-,7+/m0/s1
InChIKey
QRTSETZUOFFEBB-NKWVEPMBSA-N
Compound name
(1S,4S)-5-methylidenebicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.073166 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 125.2
[M+Na]+ 145.062384 134.0
[M-H]- 121.065890 128.5
[M+NH4]+ 140.106989 152.9
[M+K]+ 161.036324 131.8
[M+H-H2O]+ 105.070426 121.8
[M+HCOO]- 167.071367 147.4
[M+CH3COO]- 181.087017 171.1
[M+Na-2H]- 143.047832 128.9
[M]+ 122.07261742 123.4
[M]- 122.07371458 123.4
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.