CID 16748611

2137028-91-0

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1[C@H]2CN[C@@H]1CN2C3=CC=CC=C3

InChI

InChI=1S/C11H14N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h1-5,9,11-12H,6-8H2/t9-,11-/m0/s1

InChIKey

GWYXZPLBADDTQS-ONGXEEELSA-N

Compound name

(1S,4S)-2-phenyl-2,5-diazabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 174.11569 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]+	175.12297	138.3
[M+Na]+	197.10491	145.4
[M-H]-	173.10841	140.3
[M+NH4]+	192.14951	160.2
[M+K]+	213.07885	141.6
[M+H-H2O]+	157.11295	131.3
[M+HCOO]-	219.11389	156.7
[M+CH3COO]-	233.12954	150.6
[M+Na-2H]-	195.09036	142.1
[M]+	174.11514	134.1
[M]-	174.11624	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe