CID 79532

5448-29-3

Structural Information

Molecular Formula

C₇H₁₈N₂

SMILES

CC(C)NCC(C)(C)N

InChI

InChI=1S/C7H18N2/c1-6(2)9-5-7(3,4)8/h6,9H,5,8H2,1-4H3

InChIKey

BVVNMQQFLWWRFT-UHFFFAOYSA-N

Compound name

2-methyl-1-N-propan-2-ylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 97
Patents: 130.147 Da
Monoisotopic Mass: 0.3
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]+	131.15428	132.2
[M+Na]+	153.13622	137.6
[M-H]-	129.13972	132.1
[M+NH4]+	148.18082	153.7
[M+K]+	169.11016	137.5
[M+H-H2O]+	113.14426	127.6
[M+HCOO]-	175.14520	154.5
[M+CH3COO]-	189.16085	180.4
[M+Na-2H]-	151.12167	137.4
[M]+	130.14645	130.0
[M]-	130.14755	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe