CID 11117364

11,12-dihydrolactaroviolin

Structural Information

Molecular Formula
C15H16O
SMILES
CC1=C2C=CC(=C2C=C(C=C1)C(C)C)C=O
InChI
InChI=1S/C15H16O/c1-10(2)12-5-4-11(3)14-7-6-13(9-16)15(14)8-12/h4-10H,1-3H3
InChIKey
VAMFCHMEVQNLHP-UHFFFAOYSA-N
Compound name
4-methyl-7-propan-2-ylazulene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

212.12012 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 144.4
[M+Na]+ 235.10934 152.7
[M-H]- 211.11284 151.1
[M+NH4]+ 230.15394 165.5
[M+K]+ 251.08328 153.1
[M+H-H2O]+ 195.11738 140.7
[M+HCOO]- 257.11832 167.7
[M+CH3COO]- 271.13397 193.1
[M+Na-2H]- 233.09479 147.8
[M]+ 212.11957 145.4
[M]- 212.12067 145.4
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