CID 92139

Alpha-curcumene

Structural Information

Molecular Formula
C15H22
SMILES
CC1=CC=C(C=C1)C(C)CCC=C(C)C
InChI
InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3
InChIKey
VMYXUZSZMNBRCN-UHFFFAOYSA-N
Compound name
1-methyl-4-(6-methylhept-5-en-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

35
References

2558
Patents

202.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17943 149.7
[M+Na]+ 225.16137 155.5
[M-H]- 201.16487 152.9
[M+NH4]+ 220.20597 169.3
[M+K]+ 241.13531 152.5
[M+H-H2O]+ 185.16941 143.8
[M+HCOO]- 247.17035 170.6
[M+CH3COO]- 261.18600 190.9
[M+Na-2H]- 223.14682 151.7
[M]+ 202.17160 150.2
[M]- 202.17270 150.2
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