CID 97761

14370-50-4

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CC2CC1CC2CN

InChI

InChI=1S/C8H15N/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5,9H2

InChIKey

HWMZHVLJBQTGOL-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]heptanylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 681
Patents: 125.12045 Da
Monoisotopic Mass: 1.6
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]+	126.12773	128.2
[M+Na]+	148.10967	134.7
[M-H]-	124.11317	130.4
[M+NH4]+	143.15427	155.1
[M+K]+	164.08361	132.8
[M+H-H2O]+	108.11771	123.9
[M+HCOO]-	170.11865	150.2
[M+CH3COO]-	184.13430	173.8
[M+Na-2H]-	146.09512	131.9
[M]+	125.11990	124.3
[M]-	125.12100	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe