CID 85871309

(s)-(+)-curcumene

Structural Information

Molecular Formula
C13H18
SMILES
CC1=CC=C(C=C1)C(C)CCC=C
InChI
InChI=1S/C13H18/c1-4-5-6-12(3)13-9-7-11(2)8-10-13/h4,7-10,12H,1,5-6H2,2-3H3
InChIKey
HAJCPKILGSUXNO-UHFFFAOYSA-N
Compound name
1-hex-5-en-2-yl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.14085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 140.1
[M+Na]+ 197.13007 146.9
[M-H]- 173.13357 143.5
[M+NH4]+ 192.17467 160.7
[M+K]+ 213.10401 144.0
[M+H-H2O]+ 157.13811 134.5
[M+HCOO]- 219.13905 162.6
[M+CH3COO]- 233.15470 184.7
[M+Na-2H]- 195.11552 144.5
[M]+ 174.14030 140.6
[M]- 174.14140 140.6
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.