CID 134

10329-41-6

Structural Information

Molecular Formula

C₇H₁₆NO₂

SMILES

C[N+](C)(C)CCCC(=O)O

InChI

InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1

InChIKey

JHPNVNIEXXLNTR-UHFFFAOYSA-O

Compound name

3-carboxypropyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 220
References: 3103
Patents: 146.1181 Da
Monoisotopic Mass: 0.1
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]+	147.12538	129.6
[M+Na]+	169.10732	140.5
[M+NH4]+	164.15192	138.1
[M+K]+	185.08126	137.1
[M-H]-	145.11082	130.4
[M+Na-2H]-	167.09277	134.0
[M]+	146.11755	131.5
[M]-	146.11865	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe