CID 52010

(cyclopropylmethyl)trimethylammonium iodide

Structural Information

Molecular Formula

C₇H₁₆N

SMILES

C[N+](C)(C)CC1CC1

InChI

InChI=1S/C7H16N/c1-8(2,3)6-7-4-5-7/h7H,4-6H2,1-3H3/q+1

InChIKey

ZLMGSEMYQRJWCM-UHFFFAOYSA-N

Compound name

cyclopropylmethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 45
Patents: 114.12827 Da
Monoisotopic Mass: 1.0
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]+	115.13555	115.1
[M+Na]+	137.11749	123.9
[M-H]-	113.12099	121.6
[M+NH4]+	132.16209	133.7
[M+K]+	153.09143	118.4
[M+H-H2O]+	97.125530	112.7
[M+HCOO]-	159.12647	139.8
[M+CH3COO]-	173.14212	173.9
[M+Na-2H]-	135.10294	126.6
[M]+	114.12772	116.7
[M]-	114.12882	116.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe