CID 6450419

Einecs 276-466-6

Structural Information

Molecular Formula
C10H18O
SMILES
CCC/C(=C/[C@@H](C)CC)/C=O
InChI
InChI=1S/C10H18O/c1-4-6-10(8-11)7-9(3)5-2/h7-9H,4-6H2,1-3H3/b10-7-/t9-/m0/s1
InChIKey
GPTLSTSCOCBLOP-CBFJXKFUSA-N
Compound name
(Z,4S)-4-methyl-2-propylhex-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 137.7
[M+Na]+ 177.12499 143.6
[M-H]- 153.12849 137.7
[M+NH4]+ 172.16959 159.0
[M+K]+ 193.09893 142.6
[M+H-H2O]+ 137.13303 133.1
[M+HCOO]- 199.13397 158.9
[M+CH3COO]- 213.14962 180.5
[M+Na-2H]- 175.11044 140.3
[M]+ 154.13522 139.2
[M]- 154.13632 139.2
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.