CID 15145785

6872-10-2

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

CC1(C(=C)N(C2=C1C=C(C=C2)C(=O)OC)C)C

InChI

InChI=1S/C14H17NO2/c1-9-14(2,3)11-8-10(13(16)17-5)6-7-12(11)15(9)4/h6-8H,1H2,2-5H3

InChIKey

CVHDZBBLDJRKOS-UHFFFAOYSA-N

Compound name

methyl 1,3,3-trimethyl-2-methylideneindole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 231.12593 Da
Monoisotopic Mass: 3.3
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]+	232.13321	150.3
[M+Na]+	254.11515	161.0
[M-H]-	230.11865	154.5
[M+NH4]+	249.15975	172.9
[M+K]+	270.08909	157.8
[M+H-H2O]+	214.12319	145.3
[M+HCOO]-	276.12413	171.0
[M+CH3COO]-	290.13978	193.5
[M+Na-2H]-	252.10060	153.1
[M]+	231.12538	153.3
[M]-	231.12648	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe