CID 6436969

65113-95-3

Structural Information

Molecular Formula
C14H22O
SMILES
CC1=CCC(C1(C)C)C/C=C(\C)/C(=O)C
InChI
InChI=1S/C14H22O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h6-7,13H,8-9H2,1-5H3/b10-6+
InChIKey
QQUWZMIGSXXJFV-UXBLZVDNSA-N
Compound name
(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

143
Patents

206.16707 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 148.8
[M+Na]+ 229.156288 156.0
[M-H]- 205.159794 152.5
[M+NH4]+ 224.200893 172.1
[M+K]+ 245.130228 153.7
[M+H-H2O]+ 189.164330 144.8
[M+HCOO]- 251.165271 169.6
[M+CH3COO]- 265.180921 190.0
[M+Na-2H]- 227.141736 148.8
[M]+ 206.16652142 149.5
[M]- 206.16761858 149.5
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