CID 21686

1-adamantanecarboxamide

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N

InChI

InChI=1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)

InChIKey

CKBZJTAMRPPVSR-UHFFFAOYSA-N

Compound name

adamantane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 1714
Patents: 179.13101 Da
Monoisotopic Mass: 2.0
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]+	180.138286	141.4
[M+Na]+	202.120228	143.5
[M-H]-	178.123734	136.4
[M+NH4]+	197.164833	167.6
[M+K]+	218.094168	140.7
[M+H-H2O]+	162.128270	135.9
[M+HCOO]-	224.129211	148.8
[M+CH3COO]-	238.144861	150.4
[M+Na-2H]-	200.105676	151.7
[M]+	179.13046142	139.0
[M]-	179.13155858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe