CID 21267775

2-propylheptan-1-amine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CCCCCC(CCC)CN

InChI

InChI=1S/C10H23N/c1-3-5-6-8-10(9-11)7-4-2/h10H,3-9,11H2,1-2H3

InChIKey

SSOBBNSVCWLYPH-UHFFFAOYSA-N

Compound name

2-propylheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 608
Patents: 157.18304 Da
Monoisotopic Mass: 3.5
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	140.2
[M+Na]+	180.17226	149.1
[M+NH4]+	175.21686	148.2
[M+K]+	196.14620	142.6
[M-H]-	156.17576	140.6
[M+Na-2H]-	178.15771	143.2
[M]+	157.18249	141.3
[M]-	157.18359	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe