CID 103487

4,4a,6,7,8,8a-hexahydro-1,4-methanonaphthalen-5(1h)-one

Structural Information

Molecular Formula
C11H14O
SMILES
C1CC2C3CC(C2C(=O)C1)C=C3
InChI
InChI=1S/C11H14O/c12-10-3-1-2-9-7-4-5-8(6-7)11(9)10/h4-5,7-9,11H,1-3,6H2
InChIKey
YINCMLNASBORJF-UHFFFAOYSA-N
Compound name
tricyclo[6.2.1.02,7]undec-9-en-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

115
Patents

162.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11174 135.7
[M+Na]+ 185.09368 143.3
[M-H]- 161.09718 139.4
[M+NH4]+ 180.13828 162.8
[M+K]+ 201.06762 140.1
[M+H-H2O]+ 145.10172 131.8
[M+HCOO]- 207.10266 155.2
[M+CH3COO]- 221.11831 149.3
[M+Na-2H]- 183.07913 139.3
[M]+ 162.10391 133.0
[M]- 162.10501 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe