CID 61362

D-piperitone

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CC(=O)[C@@H](CC1)C(C)C
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m0/s1
InChIKey
YSTPAHQEHQSRJD-VIFPVBQESA-N
Compound name
(6S)-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

78
References

5727
Patents

152.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 132.3
[M+Na]+ 175.10934 139.2
[M-H]- 151.11284 136.0
[M+NH4]+ 170.15394 154.0
[M+K]+ 191.08328 138.1
[M+H-H2O]+ 135.11738 127.4
[M+HCOO]- 197.11832 153.2
[M+CH3COO]- 211.13397 179.4
[M+Na-2H]- 173.09479 135.6
[M]+ 152.11957 130.7
[M]- 152.12067 130.7
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