CID 94648

2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=CCC1C(O1)(C)C)C=C
InChI
InChI=1S/C10H16O/c1-5-8(2)6-7-9-10(3,4)11-9/h5-6,9H,1,7H2,2-4H3
InChIKey
LIMXJCIGROLRED-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

102
Patents

152.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.7
[M+Na]+ 175.10934 143.4
[M-H]- 151.11284 139.5
[M+NH4]+ 170.15394 151.3
[M+K]+ 191.08328 142.7
[M+H-H2O]+ 135.11738 129.2
[M+HCOO]- 197.11832 154.9
[M+CH3COO]- 211.13397 182.1
[M+Na-2H]- 173.09479 139.9
[M]+ 152.11957 138.5
[M]- 152.12067 138.5
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