CID 84532

Isopinocamphone

Structural Information

Molecular Formula
C10H16O
SMILES
C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1=O
InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKey
MQPHVIPKLRXGDJ-RNJXMRFFSA-N
Compound name
(1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

7
References

295
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 142.3
[M+Na]+ 175.109338 149.3
[M-H]- 151.112844 142.3
[M+NH4]+ 170.153943 163.8
[M+K]+ 191.083278 150.1
[M+H-H2O]+ 135.117380 135.0
[M+HCOO]- 197.118321 155.9
[M+CH3COO]- 211.133971 187.1
[M+Na-2H]- 173.094786 151.1
[M]+ 152.11957142 153.9
[M]- 152.12066858 153.9
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.