CID 526762

1,3-p-menthadien-7-al

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C)C1=CC=C(CC1)C=O
InChI
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3
InChIKey
MKVBITWQDIIUMF-UHFFFAOYSA-N
Compound name
4-propan-2-ylcyclohexa-1,3-diene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

74
Patents

150.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.5
[M+Na]+ 173.09368 145.1
[M+NH4]+ 168.13828 141.7
[M+K]+ 189.06762 138.4
[M-H]- 149.09718 134.9
[M+Na-2H]- 171.07913 139.1
[M]+ 150.10391 135.0
[M]- 150.10501 135.0
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