CID 5280680

Cis-2-methyl-5-isopropylhexa-2,5-dienal

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)C(=C)C/C=C(/C)\C=O
InChI
InChI=1S/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3/b9-5-
InChIKey
KDMDLRXLBMMBSU-UITAMQMPSA-N
Compound name
(Z)-2,6-dimethyl-5-methylidenehept-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

4
Patents

152.12012 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 135.7
[M+Na]+ 175.10934 141.7
[M-H]- 151.11284 135.8
[M+NH4]+ 170.15394 157.0
[M+K]+ 191.08328 140.5
[M+H-H2O]+ 135.11738 131.3
[M+HCOO]- 197.11832 156.2
[M+CH3COO]- 211.13397 180.4
[M+Na-2H]- 173.09479 137.2
[M]+ 152.11957 135.9
[M]- 152.12067 135.9
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