CID 12600978

1h-inden-1-one, 3a,4,5,6,7,7a-hexahydro-3,3a,7,7-tetramethyl-

Structural Information

Molecular Formula
C13H20O
SMILES
CC1=CC(=O)C2C1(CCCC2(C)C)C
InChI
InChI=1S/C13H20O/c1-9-8-10(14)11-12(2,3)6-5-7-13(9,11)4/h8,11H,5-7H2,1-4H3
InChIKey
VNZLXHULMGQBBV-UHFFFAOYSA-N
Compound name
3,3a,7,7-tetramethyl-4,5,6,7a-tetrahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

192.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 141.8
[M+Na]+ 215.14063 150.9
[M-H]- 191.14413 146.7
[M+NH4]+ 210.18523 168.9
[M+K]+ 231.11457 148.0
[M+H-H2O]+ 175.14867 138.3
[M+HCOO]- 237.14961 161.8
[M+CH3COO]- 251.16526 185.7
[M+Na-2H]- 213.12608 146.1
[M]+ 192.15086 140.8
[M]- 192.15196 140.8
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