CID 169951

Einecs 253-616-9

Structural Information

Molecular Formula
C13H20O2
SMILES
CC1(C(O1)CCC2=CCCC(C2)C=O)C
InChI
InChI=1S/C13H20O2/c1-13(2)12(15-13)7-6-10-4-3-5-11(8-10)9-14/h4,9,11-12H,3,5-8H2,1-2H3
InChIKey
SEDWZYHPNYWAAG-UHFFFAOYSA-N
Compound name
3-[2-(3,3-dimethyloxiran-2-yl)ethyl]cyclohex-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

208.14633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 147.3
[M+Na]+ 231.135548 155.8
[M-H]- 207.139054 155.5
[M+NH4]+ 226.180153 162.4
[M+K]+ 247.109488 155.2
[M+H-H2O]+ 191.143590 141.5
[M+HCOO]- 253.144531 167.4
[M+CH3COO]- 267.160181 190.6
[M+Na-2H]- 229.120996 152.7
[M]+ 208.14578142 151.0
[M]- 208.14687858 151.0
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

patents stripe