CID 3039391

Usaf cs-1745

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CCCCNC(C)(C)CN

InChI

InChI=1S/C8H20N2/c1-4-5-6-10-8(2,3)7-9/h10H,4-7,9H2,1-3H3

InChIKey

URCVHPQQWPAVGB-UHFFFAOYSA-N

Compound name

2-N-butyl-2-methylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 144.16264 Da
Monoisotopic Mass: 0.7
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]+	145.169916	136.3
[M+Na]+	167.151858	141.4
[M-H]-	143.155364	135.9
[M+NH4]+	162.196463	157.2
[M+K]+	183.125798	140.6
[M+H-H2O]+	127.159900	131.4
[M+HCOO]-	189.160841	159.2
[M+CH3COO]-	203.176491	182.6
[M+Na-2H]-	165.137306	142.2
[M]+	144.16209142	135.2
[M]-	144.16318858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe