CID 20163235

Bicyclo[3.1.1]heptan-2-amine

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC(C2CC1C2)N

InChI

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

InChIKey

OROSNZQWEOBCRD-UHFFFAOYSA-N

Compound name

bicyclo[3.1.1]heptan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 111.1048 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]+	112.11208	128.5
[M+Na]+	134.09402	133.0
[M-H]-	110.09752	127.4
[M+NH4]+	129.13862	148.6
[M+K]+	150.06796	134.7
[M+H-H2O]+	94.102060	120.1
[M+HCOO]-	156.10300	143.3
[M+CH3COO]-	170.11865	140.2
[M+Na-2H]-	132.07947	138.7
[M]+	111.10425	135.9
[M]-	111.10535	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe