CID 39235443

1181643-74-2

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1C[C@@H]2CO[C@H](CN2C1)CN

InChI

InChI=1S/C8H16N2O/c9-4-8-5-10-3-1-2-7(10)6-11-8/h7-8H,1-6,9H2/t7-,8+/m1/s1

InChIKey

JIAZNRIERWGWTE-SFYZADRCSA-N

Compound name

[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 156.12627 Da
Monoisotopic Mass: -0.4
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]+	157.13355	133.8
[M+Na]+	179.11549	139.0
[M-H]-	155.11899	136.0
[M+NH4]+	174.16009	154.3
[M+K]+	195.08943	138.4
[M+H-H2O]+	139.12353	127.5
[M+HCOO]-	201.12447	151.9
[M+CH3COO]-	215.14012	177.0
[M+Na-2H]-	177.10094	138.6
[M]+	156.12572	128.3
[M]-	156.12682	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe