CID 21522761

Bicyclo[3.1.1]heptan-3-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1C2CC1CC(C2)N

InChI

InChI=1S/C7H13N/c8-7-3-5-1-6(2-5)4-7/h5-7H,1-4,8H2

InChIKey

HFUFZENWUXYUSM-UHFFFAOYSA-N

Compound name

bicyclo[3.1.1]heptan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 111.1048 Da
Monoisotopic Mass: 1.2
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]+	112.112076	128.5
[M+Na]+	134.094018	133.0
[M-H]-	110.097524	127.4
[M+NH4]+	129.138623	148.6
[M+K]+	150.067958	134.7
[M+H-H2O]+	94.102060	120.1
[M+HCOO]-	156.103001	143.3
[M+CH3COO]-	170.118651	140.2
[M+Na-2H]-	132.079466	138.7
[M]+	111.10425142	135.9
[M]-	111.10534858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe