CID 53338751

879399-07-2

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

C1CN2C[C@@H](C[C@H]2CN1)O

InChI

InChI=1S/C7H14N2O/c10-7-3-6-4-8-1-2-9(6)5-7/h6-8,10H,1-5H2/t6-,7+/m0/s1

InChIKey

VLVMRQREBYGIBY-NKWVEPMBSA-N

Compound name

(7R,8aS)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 87
Patents: 142.11061 Da
Monoisotopic Mass: -0.8
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]+	143.11789	131.8
[M+Na]+	165.09983	137.4
[M-H]-	141.10333	129.9
[M+NH4]+	160.14443	151.9
[M+K]+	181.07377	134.8
[M+H-H2O]+	125.10787	125.4
[M+HCOO]-	187.10881	146.4
[M+CH3COO]-	201.12446	143.0
[M+Na-2H]-	163.08528	135.8
[M]+	142.11006	123.9
[M]-	142.11116	123.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe