CID 170513

Einecs 255-371-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CC1(C(=C)N(C2=C1C=CC=N2)C)C

InChI

InChI=1S/C11H14N2/c1-8-11(2,3)9-6-5-7-12-10(9)13(8)4/h5-7H,1H2,2-4H3

InChIKey

NGFQLLYOAHLAJX-UHFFFAOYSA-N

Compound name

1,3,3-trimethyl-2-methylidenepyrrolo[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 174.11569 Da
Monoisotopic Mass: 2.7
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]+	175.122966	136.9
[M+Na]+	197.104908	148.0
[M-H]-	173.108414	139.5
[M+NH4]+	192.149513	160.2
[M+K]+	213.078848	144.6
[M+H-H2O]+	157.112950	130.8
[M+HCOO]-	219.113891	157.7
[M+CH3COO]-	233.129541	182.5
[M+Na-2H]-	195.090356	142.6
[M]+	174.11514142	137.4
[M]-	174.11623858	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe