CID 17860889

440100-10-7

Structural Information

Molecular Formula

C₅H₁₂N₂

SMILES

C1CC(C1)(CN)N

InChI

InChI=1S/C5H12N2/c6-4-5(7)2-1-3-5/h1-4,6-7H2

InChIKey

XCJMSKRFAJQWSS-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 100.10005 Da
Monoisotopic Mass: -0.9
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]+	101.107326	122.7
[M+Na]+	123.089268	127.6
[M-H]-	99.092774	125.4
[M+NH4]+	118.133873	140.0
[M+K]+	139.063208	129.9
[M+H-H2O]+	83.097310	113.1
[M+HCOO]-	145.098251	145.6
[M+CH3COO]-	159.113901	173.6
[M+Na-2H]-	121.074716	129.0
[M]+	100.09950142	126.0
[M]-	100.10059858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe