CID 121494097

1k800f5wu3

Structural Information

Molecular Formula
C15H24O
SMILES
CC(=CCC1(C[C@H]2[C@H](C2(C)C)CC1=O)C)C
InChI
InChI=1S/C15H24O/c1-10(2)6-7-15(5)9-12-11(8-13(15)16)14(12,3)4/h6,11-12H,7-9H2,1-5H3/t11-,12+,15?/m1/s1
InChIKey
FWQHAOBZTWZRCE-ZVORSSOTSA-N
Compound name
(1R,6S)-4,7,7-trimethyl-4-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 152.3
[M+Na]+ 243.171928 161.7
[M-H]- 219.175434 157.7
[M+NH4]+ 238.216533 171.5
[M+K]+ 259.145868 159.2
[M+H-H2O]+ 203.179970 148.8
[M+HCOO]- 265.180911 169.3
[M+CH3COO]- 279.196561 196.5
[M+Na-2H]- 241.157376 155.6
[M]+ 220.18216142 155.3
[M]- 220.18325858 155.3
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

No patent data available for this compound.