CID 131284544

2377034-14-3

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC1CC2CCN2

InChI

InChI=1S/C7H13N/c1-2-6(1)5-7-3-4-8-7/h6-8H,1-5H2

InChIKey

NQHPJMRDVVXFGY-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 111.1048 Da
Monoisotopic Mass: 1.5
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]+	112.112076	121.6
[M+Na]+	134.094018	128.7
[M-H]-	110.097524	126.2
[M+NH4]+	129.138623	131.6
[M+K]+	150.067958	129.2
[M+H-H2O]+	94.102060	110.5
[M+HCOO]-	156.103001	141.5
[M+CH3COO]-	170.118651	174.3
[M+Na-2H]-	132.079466	128.3
[M]+	111.10425142	128.5
[M]-	111.10534858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe