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]+ 123.08044 125.2
[M+Na]+ 145.06238 134.0
[M-H]- 121.06589 128.5
[M+NH4]+ 140.10699 152.9
[M+K]+ 161.03632 131.8
[M+H-H2O]+ 105.07043 121.8
[M+HCOO]- 167.07137 147.4
[M+CH3COO]- 181.08702 171.1
[M+Na-2H]- 143.04783 128.9
[M]+ 122.07262 123.4
[M]- 122.07371 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.