CID 25958

13407-63-1

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CCC2=C(C1)C=CC(=C2)C(=O)N

InChI

InChI=1S/C11H13NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H2,12,13)

InChIKey

QMYMOARPAJVXDF-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydronaphthalene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 106
Patents: 175.09972 Da
Monoisotopic Mass: 2.2
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]+	176.10700	136.4
[M+Na]+	198.08894	142.4
[M-H]-	174.09244	139.9
[M+NH4]+	193.13354	156.9
[M+K]+	214.06288	139.6
[M+H-H2O]+	158.09698	130.4
[M+HCOO]-	220.09792	157.1
[M+CH3COO]-	234.11357	182.8
[M+Na-2H]-	196.07439	142.2
[M]+	175.09917	131.6
[M]-	175.10027	131.6

Literature stripe

literature stripe

Patent stripe

patents stripe