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
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.3
[M+Na]+ 243.17193 161.7
[M-H]- 219.17543 157.7
[M+NH4]+ 238.21653 171.5
[M+K]+ 259.14587 159.2
[M+H-H2O]+ 203.17997 148.8
[M+HCOO]- 265.18091 169.3
[M+CH3COO]- 279.19656 196.5
[M+Na-2H]- 241.15738 155.6
[M]+ 220.18216 155.3
[M]- 220.18326 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.