CID 551083

Endo-3-acetamidocamphor

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

CC1(C2CCC1(C(=O)C2NC)C)C

InChI

InChI=1S/C11H19NO/c1-10(2)7-5-6-11(10,3)9(13)8(7)12-4/h7-8,12H,5-6H2,1-4H3

InChIKey

WXBRKIBBHSULPF-UHFFFAOYSA-N

Compound name

1,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 181.14667 Da
Monoisotopic Mass: 1.7
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]+	182.153946	139.3
[M+Na]+	204.135888	148.6
[M-H]-	180.139394	142.9
[M+NH4]+	199.180493	168.8
[M+K]+	220.109828	145.9
[M+H-H2O]+	164.143930	136.9
[M+HCOO]-	226.144871	161.3
[M+CH3COO]-	240.160521	186.2
[M+Na-2H]-	202.121336	144.0
[M]+	181.14612142	139.6
[M]-	181.14721858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe