CID 136589524

2225127-13-7

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

C1C(CC1N)CN2C=CN=C2

InChI

InChI=1S/C8H13N3/c9-8-3-7(4-8)5-11-2-1-10-6-11/h1-2,6-8H,3-5,9H2

InChIKey

JRMWEBHEMFJASH-UHFFFAOYSA-N

Compound name

3-(imidazol-1-ylmethyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.11095 Da
Monoisotopic Mass: -0.2
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]+	152.11823	131.2
[M+Na]+	174.10017	137.3
[M+NH4]+	169.14477	135.5
[M+K]+	190.07411	135.4
[M-H]-	150.10367	130.8
[M+Na-2H]-	172.08562	135.1
[M]+	151.11040	130.5
[M]-	151.11150	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.