CID 22872570

179684-70-9

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CC(=N[C@H]1CO)N

InChI

InChI=1S/C5H10N2O/c6-5-2-1-4(3-8)7-5/h4,8H,1-3H2,(H2,6,7)/t4-/m1/s1

InChIKey

VIDLMMHRVJNUGG-SCSAIBSYSA-N

Compound name

[(2R)-5-amino-3,4-dihydro-2H-pyrrol-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 114.079315 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]+	115.086591	121.6
[M+Na]+	137.068533	129.2
[M-H]-	113.072039	122.2
[M+NH4]+	132.113138	143.6
[M+K]+	153.042473	127.9
[M+H-H2O]+	97.076575	115.9
[M+HCOO]-	159.077516	144.6
[M+CH3COO]-	173.093166	166.9
[M+Na-2H]-	135.053981	126.7
[M]+	114.07876642	117.9
[M]-	114.07986358	117.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe