CID 549586

2-methyl-2-(4-methylpent-3-enyl)cyclopropanecarbaldehyde

Structural Information

Molecular Formula
C11H18O
SMILES
CC(=CCCC1(CC1C=O)C)C
InChI
InChI=1S/C11H18O/c1-9(2)5-4-6-11(3)7-10(11)8-12/h5,8,10H,4,6-7H2,1-3H3
InChIKey
HVRSGXFUZOKZNT-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

53
Patents

166.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 138.4
[M+Na]+ 189.12499 147.5
[M-H]- 165.12849 143.2
[M+NH4]+ 184.16959 156.5
[M+K]+ 205.09893 145.4
[M+H-H2O]+ 149.13303 133.9
[M+HCOO]- 211.13397 160.3
[M+CH3COO]- 225.14962 185.0
[M+Na-2H]- 187.11044 142.9
[M]+ 166.13522 142.8
[M]- 166.13632 142.8
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

patents stripe