CID 168475472

Chebi:195527

Structural Information

Molecular Formula
C15H23O
SMILES
CC1CCC2C13CCC4(C(C3)[CH+]C2(O4)C)C
InChI
InChI=1S/C15H23O/c1-10-4-5-12-14(3)8-11-9-15(10,12)7-6-13(11,2)16-14/h8,10-12H,4-7,9H2,1-3H3/q+1
InChIKey
PJUXPHVUUBDVMM-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1749 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.18218 152.3
[M+Na]+ 242.16412 159.2
[M-H]- 218.16762 155.7
[M+NH4]+ 237.20872 182.3
[M+K]+ 258.13806 150.4
[M+H-H2O]+ 202.17216 150.2
[M+HCOO]- 264.17310 164.1
[M+CH3COO]- 278.18875 185.8
[M+Na-2H]- 240.14957 159.8
[M]+ 219.17435 149.9
[M]- 219.17545 149.9
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

No patent data available for this compound.