CID 121494096

Rvu21j753h

Structural Information

Molecular Formula
C15H24O
SMILES
CC1C[C@@H]2[C@@H](C2(C)C)C(C1=O)CC=C(C)C
InChI
InChI=1S/C15H24O/c1-9(2)6-7-11-13-12(15(13,4)5)8-10(3)14(11)16/h6,10-13H,7-8H2,1-5H3/t10?,11?,12-,13+/m1/s1
InChIKey
HCRHVSPDKOSFIT-TUUUFIMRSA-N
Compound name
(1R,6R)-4,7,7-trimethyl-2-(3-methylbut-2-enyl)bicyclo[4.1.0]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

47
Patents

220.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 151.8
[M+Na]+ 243.171928 161.3
[M-H]- 219.175434 157.2
[M+NH4]+ 238.216533 169.4
[M+K]+ 259.145868 157.8
[M+H-H2O]+ 203.179970 147.5
[M+HCOO]- 265.180911 169.1
[M+CH3COO]- 279.196561 197.9
[M+Na-2H]- 241.157376 153.5
[M]+ 220.18216142 154.7
[M]- 220.18325858 154.7
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