CID 45792660

1209616-87-4

Structural Information

Molecular Formula

C₁₁H₁₇N₃

SMILES

CC1=NC(=C(C=C1)CN)N2CCCC2

InChI

InChI=1S/C11H17N3/c1-9-4-5-10(8-12)11(13-9)14-6-2-3-7-14/h4-5H,2-3,6-8,12H2,1H3

InChIKey

VBRRXVUQKDPNEP-UHFFFAOYSA-N

Compound name

(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 191.14224 Da
Monoisotopic Mass: 1.1
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]+	192.149516	143.7
[M+Na]+	214.131458	150.6
[M-H]-	190.134964	147.1
[M+NH4]+	209.176063	162.0
[M+K]+	230.105398	147.4
[M+H-H2O]+	174.139500	135.5
[M+HCOO]-	236.140441	164.9
[M+CH3COO]-	250.156091	185.4
[M+Na-2H]-	212.116906	146.8
[M]+	191.14169142	139.8
[M]-	191.14278858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe