CID 27984023

61863-41-0

Structural Information

Molecular Formula

C₉H₁₅N

SMILES

C1[C@@H]2C[C@H]([C@H]1C=C2)CCN

InChI

InChI=1S/C9H15N/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6,10H2/t7-,8+,9-/m1/s1

InChIKey

IGRYFUUCWNBVDN-HRDYMLBCSA-N

Compound name

2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 137.12045 Da
Monoisotopic Mass: 1.5
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]+	138.12773	129.2
[M+Na]+	160.10967	137.9
[M+NH4]+	155.15427	139.4
[M+K]+	176.08361	135.1
[M-H]-	136.11317	130.8
[M+Na-2H]-	158.09512	131.9
[M]+	137.11990	130.6
[M]-	137.12100	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe