CID 53716102

125033-59-2

Structural Information

Molecular Formula

C₁₀H₂₀N₂O₃

SMILES

CC(C)(C)OC(=O)NCC1(CCNC1)O

InChI

InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-7-10(14)4-5-11-6-10/h11,14H,4-7H2,1-3H3,(H,12,13)

InChIKey

CDXOWYHAHPHSRG-UHFFFAOYSA-N

Compound name

tert-butyl N-[(3-hydroxypyrrolidin-3-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 216.1474 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]+	217.154676	151.4
[M+Na]+	239.136618	155.9
[M-H]-	215.140124	150.4
[M+NH4]+	234.181223	170.6
[M+K]+	255.110558	154.6
[M+H-H2O]+	199.144660	146.6
[M+HCOO]-	261.145601	168.5
[M+CH3COO]-	275.161251	181.5
[M+Na-2H]-	237.122066	155.3
[M]+	216.14685142	148.0
[M]-	216.14794858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe