CID 274476

1,2-campholide

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1(C2CCC1(OC(=O)C2)C)C

InChI

InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3

InChIKey

AXRMSBLBSHJLGO-UHFFFAOYSA-N

Compound name

1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 10
Patents: 168.11504 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.122316	133.6
[M+Na]+	191.104258	142.4
[M-H]-	167.107764	137.5
[M+NH4]+	186.148863	160.6
[M+K]+	207.078198	141.8
[M+H-H2O]+	151.112300	130.6
[M+HCOO]-	213.113241	152.1
[M+CH3COO]-	227.128891	179.2
[M+Na-2H]-	189.089706	141.1
[M]+	168.11449142	133.8
[M]-	168.11558858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe