CID 55253565

3-heptyloxirane-2-carbaldehyde

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCCCCCC1C(O1)C=O
InChI
InChI=1S/C10H18O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h8-10H,2-7H2,1H3
InChIKey
ZAYNCWQGQVRPDV-UHFFFAOYSA-N
Compound name
3-heptyloxirane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

35
Patents

170.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.9
[M+Na]+ 193.11990 148.7
[M-H]- 169.12340 145.0
[M+NH4]+ 188.16450 154.8
[M+K]+ 209.09384 147.5
[M+H-H2O]+ 153.12794 133.6
[M+HCOO]- 215.12888 162.3
[M+CH3COO]- 229.14453 185.1
[M+Na-2H]- 191.10535 145.9
[M]+ 170.13013 146.9
[M]- 170.13123 146.9
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