CID 550942

4-amino-tempo

Structural Information

Molecular Formula

C₉H₁₉N₂O

SMILES

CC1(CC(CC(N1[O])(C)C)N)C

InChI

InChI=1S/C9H19N2O/c1-8(2)5-7(10)6-9(3,4)11(8)12/h7H,5-6,10H2,1-4H3

InChIKey

XUXUHDYTLNCYQQ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 72
References: 31
Patents: 171.14973 Da
Monoisotopic Mass: 0.6
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]+	172.15701	136.5
[M+Na]+	194.13895	144.7
[M-H]-	170.14245	138.9
[M+NH4]+	189.18355	159.8
[M+K]+	210.11289	144.3
[M+H-H2O]+	154.14699	132.4
[M+HCOO]-	216.14793	156.1
[M+CH3COO]-	230.16358	184.0
[M+Na-2H]-	192.12440	141.6
[M]+	171.14918	134.3
[M]-	171.15028	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe