CID 2770470

93257-31-9

Structural Information

Molecular Formula

C₁₁H₁₈O₃

SMILES

CC1(C2(CCC1(CC2O)C(=O)O)C)C

InChI

InChI=1S/C11H18O3/c1-9(2)10(3)4-5-11(9,8(13)14)6-7(10)12/h7,12H,4-6H2,1-3H3,(H,13,14)

InChIKey

XGYBHRIFVITMPY-UHFFFAOYSA-N

Compound name

3-hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 198.1256 Da
Monoisotopic Mass: 1.4
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]+	199.132876	144.6
[M+Na]+	221.114818	153.6
[M-H]-	197.118324	145.5
[M+NH4]+	216.159423	173.8
[M+K]+	237.088758	150.6
[M+H-H2O]+	181.122860	143.7
[M+HCOO]-	243.123801	161.8
[M+CH3COO]-	257.139451	180.1
[M+Na-2H]-	219.100266	148.9
[M]+	198.12505142	144.4
[M]-	198.12614858	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe