CID 512864

(+)-3-bromocamphor

Structural Information

Molecular Formula

C₁₀H₁₅BrO

SMILES

C[C@@]12CC[C@@H](C1(C)C)[C@@H](C2=O)Br

InChI

InChI=1S/C10H15BrO/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6-7H,4-5H2,1-3H3/t6-,7+,10+/m1/s1

InChIKey

NJQADTYRAYFBJN-FWWHASMVSA-N

Compound name

(1R,3S,4S)-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 566
Patents: 230.03062 Da
Monoisotopic Mass: 2.9
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]+	231.03790	146.7
[M+Na]+	253.01984	160.6
[M-H]-	229.02334	153.2
[M+NH4]+	248.06444	177.6
[M+K]+	268.99378	149.6
[M+H-H2O]+	213.02788	150.4
[M+HCOO]-	275.02882	165.8
[M+CH3COO]-	289.04447	188.6
[M+Na-2H]-	251.00529	152.1
[M]+	230.03007	165.8
[M]-	230.03117	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe