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

51
Patents

220.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.8
[M+Na]+ 243.17193 161.3
[M-H]- 219.17543 157.2
[M+NH4]+ 238.21653 169.4
[M+K]+ 259.14587 157.8
[M+H-H2O]+ 203.17997 147.5
[M+HCOO]- 265.18091 169.1
[M+CH3COO]- 279.19656 197.9
[M+Na-2H]- 241.15738 153.5
[M]+ 220.18216 154.7
[M]- 220.18326 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