CID 23560870

3-tert-butylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₈H₁₇N

SMILES

CC(C)(C)C1CCNC1

InChI

InChI=1S/C8H17N/c1-8(2,3)7-4-5-9-6-7/h7,9H,4-6H2,1-3H3

InChIKey

LMVHALAYUBESJG-UHFFFAOYSA-N

Compound name

3-tert-butylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 575
Patents: 127.1361 Da
Monoisotopic Mass: 1.9
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]+	128.143376	131.4
[M+Na]+	150.125318	137.2
[M-H]-	126.128824	131.7
[M+NH4]+	145.169923	153.4
[M+K]+	166.099258	135.8
[M+H-H2O]+	110.133360	126.2
[M+HCOO]-	172.134301	149.7
[M+CH3COO]-	186.149951	168.8
[M+Na-2H]-	148.110766	135.9
[M]+	127.13555142	126.8
[M]-	127.13664858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe