CID 83479701

Decahydroazulen-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N

SMILES

C1CCC2CC(CC2CC1)N

InChI

InChI=1S/C10H19N/c11-10-6-8-4-2-1-3-5-9(8)7-10/h8-10H,1-7,11H2

InChIKey

JCGCPPRVIBZTNS-UHFFFAOYSA-N

Compound name

1,2,3,3a,4,5,6,7,8,8a-decahydroazulen-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.15175 Da
Monoisotopic Mass: 2.8
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]+	154.15903	133.0
[M+Na]+	176.14097	135.6
[M-H]-	152.14447	137.0
[M+NH4]+	171.18557	154.6
[M+K]+	192.11491	136.5
[M+H-H2O]+	136.14901	128.1
[M+HCOO]-	198.14995	151.6
[M+CH3COO]-	212.16560	144.5
[M+Na-2H]-	174.12642	135.7
[M]+	153.15120	122.8
[M]-	153.15230	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe