CID 1512683

Methyl pyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

COC(=O)[C@@H]1CCNC1

InChI

InChI=1S/C6H11NO2/c1-9-6(8)5-2-3-7-4-5/h5,7H,2-4H2,1H3/t5-/m1/s1

InChIKey

VVWWZOKQKXPVIV-RXMQYKEDSA-N

Compound name

methyl (3R)-pyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1473
Patents: 129.07898 Da
Monoisotopic Mass: -0.2
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]+	130.086256	127.4
[M+Na]+	152.068198	133.5
[M-H]-	128.071704	127.8
[M+NH4]+	147.112803	148.9
[M+K]+	168.042138	133.0
[M+H-H2O]+	112.076240	121.7
[M+HCOO]-	174.077181	147.6
[M+CH3COO]-	188.092831	166.4
[M+Na-2H]-	150.053646	131.1
[M]+	129.07843142	124.1
[M]-	129.07952858	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe