CID 19917

Iproheptine

Structural Information

Molecular Formula

C₁₁H₂₅N

SMILES

CC(C)CCCC(C)NC(C)C

InChI

InChI=1S/C11H25N/c1-9(2)7-6-8-11(5)12-10(3)4/h9-12H,6-8H2,1-5H3

InChIKey

NKGYBXHAQAKSSG-UHFFFAOYSA-N

Compound name

6-methyl-N-propan-2-ylheptan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1451
Patents: 171.1987 Da
Monoisotopic Mass: 3.6
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]+	172.20598	147.7
[M+Na]+	194.18792	151.3
[M-H]-	170.19142	147.3
[M+NH4]+	189.23252	167.9
[M+K]+	210.16186	151.1
[M+H-H2O]+	154.19596	142.3
[M+HCOO]-	216.19690	167.8
[M+CH3COO]-	230.21255	189.8
[M+Na-2H]-	192.17337	148.4
[M]+	171.19815	148.0
[M]-	171.19925	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe