CID 18856

1-adamantylformamide

Structural Information

Molecular Formula

C₁₁H₁₇NO

SMILES

C1C2CC3CC1CC(C2)(C3)NC=O

InChI

InChI=1S/C11H17NO/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h7-10H,1-6H2,(H,12,13)

InChIKey

BUPHJFOIWZKPNV-UHFFFAOYSA-N

Compound name

N-(1-adamantyl)formamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 287
Patents: 179.13101 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]+	180.138286	138.6
[M+Na]+	202.120228	141.0
[M-H]-	178.123734	134.1
[M+NH4]+	197.164833	165.1
[M+K]+	218.094168	138.0
[M+H-H2O]+	162.128270	132.8
[M+HCOO]-	224.129211	147.8
[M+CH3COO]-	238.144861	148.1
[M+Na-2H]-	200.105676	151.2
[M]+	179.13046142	137.8
[M]-	179.13155858	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe