CID 104372

52962-99-9

Structural Information

Molecular Formula
C9H12O2
SMILES
COCC1[C@@H]2CC(=O)[C@H]1C=C2
InChI
InChI=1S/C9H12O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7-,8?/m0/s1
InChIKey
FAQMUJPTADIXNH-WPZUCAASSA-N
Compound name
(1S,4R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

152.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.090996 132.0
[M+Na]+ 175.072938 141.1
[M-H]- 151.076444 135.5
[M+NH4]+ 170.117543 158.7
[M+K]+ 191.046878 139.5
[M+H-H2O]+ 135.080980 128.3
[M+HCOO]- 197.081921 155.4
[M+CH3COO]- 211.097571 176.6
[M+Na-2H]- 173.058386 136.3
[M]+ 152.08317142 134.2
[M]- 152.08426858 134.2
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

patents stripe