CID 13875030

1936186-34-3

Structural Information

Molecular Formula

C₁₄H₁₇N

SMILES

CC1C2CC(N1CC3=CC=CC=C3)C=C2

InChI

InChI=1S/C14H17N/c1-11-13-7-8-14(9-13)15(11)10-12-5-3-2-4-6-12/h2-8,11,13-14H,9-10H2,1H3

InChIKey

UODCZKFJFLNXBN-UHFFFAOYSA-N

Compound name

2-benzyl-3-methyl-2-azabicyclo[2.2.1]hept-5-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 199.1361 Da
Monoisotopic Mass: 2.8
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]+	200.14338	146.2
[M+Na]+	222.12532	154.4
[M-H]-	198.12882	151.3
[M+NH4]+	217.16992	169.6
[M+K]+	238.09926	150.5
[M+H-H2O]+	182.13336	139.9
[M+HCOO]-	244.13430	167.8
[M+CH3COO]-	258.14995	159.6
[M+Na-2H]-	220.11077	149.3
[M]+	199.13555	146.2
[M]-	199.13665	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe