CID 56936239

Cis-6,7-epoxy-9z-heptadecene

Structural Information

Molecular Formula
C17H32O
SMILES
CCCCCCC/C=C\CC1C(O1)CCCCC
InChI
InChI=1S/C17H32O/c1-3-5-7-8-9-10-11-13-15-17-16(18-17)14-12-6-4-2/h11,13,16-17H,3-10,12,14-15H2,1-2H3/b13-11-
InChIKey
DZBUIPPAEPQLKL-QBFSEMIESA-N
Compound name
2-[(Z)-dec-2-enyl]-3-pentyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.24532 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 166.1
[M+Na]+ 275.23454 172.2
[M-H]- 251.23804 170.1
[M+NH4]+ 270.27914 178.0
[M+K]+ 291.20848 169.1
[M+H-H2O]+ 235.24258 158.8
[M+HCOO]- 297.24352 186.2
[M+CH3COO]- 311.25917 202.7
[M+Na-2H]- 273.21999 168.6
[M]+ 252.24477 174.2
[M]- 252.24587 174.2
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.