CID 521267

2-methyl-5-(propan-2-yl)cyclohex-2-en-1-one

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC(CC1=O)C(C)C
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3
InChIKey
WPGPCDVQHXOMQP-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

389
References

1199
Patents

152.12012 Da
Monoisotopic Mass

2.5
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