CID 176983

P-mentha-1,3,8-triene

Structural Information

Molecular Formula
C10H14
SMILES
CC1=CC=C(CC1)C(=C)C
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4,6H,1,5,7H2,2-3H3
InChIKey
XNMPFDIYAMOYRM-UHFFFAOYSA-N
Compound name
1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

104
Patents

134.10954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 127.8
[M+Na]+ 157.098758 134.8
[M-H]- 133.102264 131.5
[M+NH4]+ 152.143363 150.0
[M+K]+ 173.072698 133.0
[M+H-H2O]+ 117.106800 122.8
[M+HCOO]- 179.107741 149.9
[M+CH3COO]- 193.123391 175.9
[M+Na-2H]- 155.084206 132.9
[M]+ 134.10899142 125.8
[M]- 134.11008858 125.8
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