CID 157009761

(s)-(+)-curcumene

Structural Information

Molecular Formula
C13H18
SMILES
CC1=CC=C(C=C1)[C@@H](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/t12-/m0/s1
InChIKey
HAJCPKILGSUXNO-LBPRGKRZSA-N
Compound name
1-[(2S)-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]+ 175.148126 140.1
[M+Na]+ 197.130068 146.9
[M-H]- 173.133574 143.5
[M+NH4]+ 192.174673 160.7
[M+K]+ 213.104008 144.0
[M+H-H2O]+ 157.138110 134.5
[M+HCOO]- 219.139051 162.6
[M+CH3COO]- 233.154701 184.7
[M+Na-2H]- 195.115516 144.5
[M]+ 174.14030142 140.6
[M]- 174.14139858 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.