CID 440917

D-limonene

Structural Information

Molecular Formula
C10H16
SMILES
CC1=CC[C@@H](CC1)C(=C)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m0/s1
InChIKey
XMGQYMWWDOXHJM-JTQLQIEISA-N
Compound name
(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

2793
References

95308
Patents

136.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 129.9
[M+Na]+ 159.114418 135.8
[M-H]- 135.117924 133.2
[M+NH4]+ 154.159023 151.9
[M+K]+ 175.088358 134.2
[M+H-H2O]+ 119.122460 124.9
[M+HCOO]- 181.123401 150.5
[M+CH3COO]- 195.139051 176.3
[M+Na-2H]- 157.099866 133.9
[M]+ 136.12465142 126.4
[M]- 136.12574858 126.4
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