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
3
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]+ 151.111736 131.5
[M+Na]+ 173.093678 138.4
[M-H]- 149.097184 135.1
[M+NH4]+ 168.138283 152.9
[M+K]+ 189.067618 137.0
[M+H-H2O]+ 133.101720 126.2
[M+HCOO]- 195.102661 153.7
[M+CH3COO]- 209.118311 177.8
[M+Na-2H]- 171.079126 136.4
[M]+ 150.10391142 130.8
[M]- 150.10500858 130.8
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