CID 53874917

2418594-87-1

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC[C@@H]1CC[C@@H](N1)C

InChI

InChI=1S/C7H15N/c1-3-7-5-4-6(2)8-7/h6-8H,3-5H2,1-2H3/t6-,7+/m0/s1

InChIKey

HFSPXKKJTJCBNE-NKWVEPMBSA-N

Compound name

(2R,5S)-2-ethyl-5-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 113.12045 Da
Monoisotopic Mass: 1.7
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]+	114.12773	125.6
[M+Na]+	136.10967	135.7
[M+NH4]+	131.15427	134.6
[M+K]+	152.08361	131.4
[M-H]-	112.11317	126.5
[M+Na-2H]-	134.09512	129.8
[M]+	113.11990	127.1
[M]-	113.12100	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe