CID 276346

187275-39-4

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C(C12C3C4C1C5C4C3C25)N

InChI

InChI=1S/C9H11N/c10-1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8H,1,10H2

InChIKey

CRHYPLCALPANOH-UHFFFAOYSA-N

Compound name

cuban-1-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 13
Patents: 133.08914 Da
Monoisotopic Mass: 0.1
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]+	134.09642	199.8
[M+Na]+	156.07836	200.6
[M-H]-	132.08186	203.8
[M+NH4]+	151.12296	196.2
[M+K]+	172.05230	205.0
[M+H-H2O]+	116.08640	187.5
[M+HCOO]-	178.08734	202.3
[M+CH3COO]-	192.10299	258.9
[M+Na-2H]-	154.06381	195.1
[M]+	133.08859	218.9
[M]-	133.08969	218.9

Literature stripe

literature stripe

Patent stripe

patents stripe