CID 92464

Bis(aminomethyl)norbornane

Structural Information

Molecular Formula

C₉H₁₈N₂

SMILES

C1CC2CC1C(C2CN)CN

InChI

InChI=1S/C9H18N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h6-9H,1-5,10-11H2

InChIKey

RPYFJVIASOJLJS-UHFFFAOYSA-N

Compound name

[3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1181
Patents: 154.147 Da
Monoisotopic Mass: 0.5
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]+	155.154276	135.1
[M+Na]+	177.136218	141.1
[M-H]-	153.139724	136.8
[M+NH4]+	172.180823	160.4
[M+K]+	193.110158	138.6
[M+H-H2O]+	137.144260	130.4
[M+HCOO]-	199.145201	157.1
[M+CH3COO]-	213.160851	182.2
[M+Na-2H]-	175.121666	137.2
[M]+	154.14645142	130.1
[M]-	154.14754858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe