CID 85680905

5-cyclopropylpentanal

Structural Information

Molecular Formula
C8H14O
SMILES
C1CC1CCCCC=O
InChI
InChI=1S/C8H14O/c9-7-3-1-2-4-8-5-6-8/h7-8H,1-6H2
InChIKey
FRYKIPDMAMKMDF-UHFFFAOYSA-N
Compound name
5-cyclopropylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

126.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 127.1
[M+Na]+ 149.09368 139.3
[M+NH4]+ 144.13828 136.3
[M+K]+ 165.06762 134.2
[M-H]- 125.09718 135.1
[M+Na-2H]- 147.07913 135.0
[M]+ 126.10391 132.1
[M]- 126.10501 132.1
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