CID 126606082

2231664-29-0

Structural Information

Molecular Formula

C₅H₁₂N₂

SMILES

CC1(CC(C1)N)N

InChI

InChI=1S/C5H12N2/c1-5(7)2-4(6)3-5/h4H,2-3,6-7H2,1H3

InChIKey

SBBAGNHPQWRXMJ-UHFFFAOYSA-N

Compound name

1-methylcyclobutane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 100.10005 Da
Monoisotopic Mass: -0.8
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]+	101.10733	122.5
[M+Na]+	123.08927	127.2
[M+NH4]+	118.13387	128.7
[M+K]+	139.06321	122.7
[M-H]-	99.092774	122.1
[M+Na-2H]-	121.07472	126.2
[M]+	100.09950	121.8
[M]-	100.10060	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe