CID 70260

1,2,5-trimethylpyrrole

Structural Information

Molecular Formula

C₇H₁₁N

SMILES

CC1=CC=C(N1C)C

InChI

InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3

InChIKey

YRABRACUKBOTKB-UHFFFAOYSA-N

Compound name

1,2,5-trimethylpyrrole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 864
Patents: 109.08915 Da
Monoisotopic Mass: 1.5
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]+	110.096426	119.6
[M+Na]+	132.078368	129.8
[M-H]-	108.081874	122.7
[M+NH4]+	127.122973	143.8
[M+K]+	148.052308	128.8
[M+H-H2O]+	92.086410	114.5
[M+HCOO]-	154.087351	144.3
[M+CH3COO]-	168.103001	170.4
[M+Na-2H]-	130.063816	125.4
[M]+	109.08860142	120.8
[M]-	109.08969858	120.8

Literature stripe

literature stripe

Patent stripe

patents stripe