CID 53422840

73507-49-0

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=CCCC(C1CC(=C(C)C=O)C)(C)C
InChI
InChI=1S/C15H24O/c1-11-7-6-8-15(4,5)14(11)9-12(2)13(3)10-16/h7,10,14H,6,8-9H2,1-5H3
InChIKey
XMCLBTZLLJMMOQ-UHFFFAOYSA-N
Compound name
2,3-dimethyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 152.1
[M+Na]+ 243.171928 158.0
[M-H]- 219.175434 155.3
[M+NH4]+ 238.216533 173.0
[M+K]+ 259.145868 155.7
[M+H-H2O]+ 203.179970 147.5
[M+HCOO]- 265.180911 170.5
[M+CH3COO]- 279.196561 193.4
[M+Na-2H]- 241.157376 152.8
[M]+ 220.18216142 151.2
[M]- 220.18325858 151.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe