CID 22286850

69095-07-4

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CC2(CCC1C2)CN

InChI

InChI=1S/C8H15N/c9-6-8-3-1-7(5-8)2-4-8/h7H,1-6,9H2

InChIKey

CKDSFRWKHBYHHT-UHFFFAOYSA-N

Compound name

1-bicyclo[2.2.1]heptanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 842
Patents: 125.12045 Da
Monoisotopic Mass: 1.4
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]+	126.127726	128.5
[M+Na]+	148.109668	135.0
[M-H]-	124.113174	130.6
[M+NH4]+	143.154273	157.0
[M+K]+	164.083608	133.0
[M+H-H2O]+	108.117710	124.4
[M+HCOO]-	170.118651	150.5
[M+CH3COO]-	184.134301	172.3
[M+Na-2H]-	146.095116	133.8
[M]+	125.11990142	124.4
[M]-	125.12099858	124.4

Literature stripe

literature stripe

Patent stripe

patents stripe