CID 47374

4-(1-methylethyl)-4-heptanamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCC(CCC)(C(C)C)N

InChI

InChI=1S/C10H23N/c1-5-7-10(11,8-6-2)9(3)4/h9H,5-8,11H2,1-4H3

InChIKey

GRGRWEXSHIGJQM-UHFFFAOYSA-N

Compound name

4-propan-2-ylheptan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 157.18304 Da
Monoisotopic Mass: 3.0
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]+	158.19032	140.5
[M+Na]+	180.17226	149.1
[M+NH4]+	175.21686	148.3
[M+K]+	196.14620	143.9
[M-H]-	156.17576	140.3
[M+Na-2H]-	178.15771	143.4
[M]+	157.18249	141.5
[M]-	157.18359	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe