CID 11171270

1-benzenecarboximidoylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CCN(C1)C(=N)C2=CC=CC=C2

InChI

InChI=1S/C11H14N2/c12-11(13-8-4-5-9-13)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2

InChIKey

SJNCNSUREXJSER-UHFFFAOYSA-N

Compound name

phenyl(pyrrolidin-1-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 174.11569 Da
Monoisotopic Mass: 2.0
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	138.8
[M+Na]+	197.10491	143.7
[M-H]-	173.10841	143.5
[M+NH4]+	192.14951	158.6
[M+K]+	213.07885	140.9
[M+H-H2O]+	157.11295	131.1
[M+HCOO]-	219.11389	161.0
[M+CH3COO]-	233.12954	180.4
[M+Na-2H]-	195.09036	143.1
[M]+	174.11514	133.1
[M]-	174.11624	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe