CID 12501587

1821738-74-2

Structural Information

Molecular Formula
C9H14O
SMILES
CC1([C@@H]2CCC[C@@H]2C1=O)C
InChI
InChI=1S/C9H14O/c1-9(2)7-5-3-4-6(7)8(9)10/h6-7H,3-5H2,1-2H3/t6-,7+/m0/s1
InChIKey
INDMRFDFEBAXTK-NKWVEPMBSA-N
Compound name
(1R,5S)-7,7-dimethylbicyclo[3.2.0]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 128.7
[M+Na]+ 161.09368 134.7
[M+NH4]+ 156.13828 135.7
[M+K]+ 177.06762 130.6
[M-H]- 137.09718 127.5
[M+Na-2H]- 159.07913 131.1
[M]+ 138.10391 128.0
[M]- 138.10501 128.0
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.