CID 60099384

3-heptylpyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

CCCCCCCC1CCNC1

InChI

InChI=1S/C11H23N/c1-2-3-4-5-6-7-11-8-9-12-10-11/h11-12H,2-10H2,1H3

InChIKey

KITYRIGUEUPVPL-UHFFFAOYSA-N

Compound name

3-heptylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.18304 Da
Monoisotopic Mass: 3.8
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]+	170.190316	144.7
[M+Na]+	192.172258	148.6
[M-H]-	168.175764	144.0
[M+NH4]+	187.216863	164.7
[M+K]+	208.146198	146.0
[M+H-H2O]+	152.180300	138.0
[M+HCOO]-	214.181241	163.5
[M+CH3COO]-	228.196891	178.4
[M+Na-2H]-	190.157706	146.8
[M]+	169.18249142	141.7
[M]-	169.18358858	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe