CID 124591916

(3r,8as)-hexahydro-1h-pyrrolo[2,1-c]morpholine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1C[C@H]2CO[C@H](CN2C1)C(=O)O

InChI

InChI=1S/C8H13NO3/c10-8(11)7-4-9-3-1-2-6(9)5-12-7/h6-7H,1-5H2,(H,10,11)/t6-,7+/m0/s1

InChIKey

NRYMHFYVXHFGIL-NKWVEPMBSA-N

Compound name

(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 171.08954 Da
Monoisotopic Mass: -2.2
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]+	172.096816	135.5
[M+Na]+	194.078758	140.9
[M-H]-	170.082264	137.0
[M+NH4]+	189.123363	155.0
[M+K]+	210.052698	140.8
[M+H-H2O]+	154.086800	129.8
[M+HCOO]-	216.087741	151.2
[M+CH3COO]-	230.103391	174.5
[M+Na-2H]-	192.064206	139.3
[M]+	171.08899142	131.4
[M]-	171.09008858	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe