CID 14133657

Nepetalactam

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC1CCC2C1C(=O)NC=C2C

InChI

InChI=1S/C10H15NO/c1-6-3-4-8-7(2)5-11-10(12)9(6)8/h5-6,8-9H,3-4H2,1-2H3,(H,11,12)

InChIKey

UFGRADREDASLJW-UHFFFAOYSA-N

Compound name

4,7-dimethyl-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 165.11537 Da
Monoisotopic Mass: 1.3
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]+	166.122646	136.6
[M+Na]+	188.104588	144.5
[M-H]-	164.108094	138.3
[M+NH4]+	183.149193	158.6
[M+K]+	204.078528	141.3
[M+H-H2O]+	148.112630	131.3
[M+HCOO]-	210.113571	154.7
[M+CH3COO]-	224.129221	177.4
[M+Na-2H]-	186.090036	139.3
[M]+	165.11482142	132.6
[M]-	165.11591858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe