CID 76968

N-isobutylethylenediamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CC(C)CNCCN
InChI
InChI=1S/C6H16N2/c1-6(2)5-8-4-3-7/h6,8H,3-5,7H2,1-2H3
InChIKey
RJCXIVJEQLXULD-UHFFFAOYSA-N
Compound name
N'-(2-methylpropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

600
Patents

116.13135 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.13863 126.3
[M+Na]+ 139.12057 134.6
[M+NH4]+ 134.16517 134.4
[M+K]+ 155.09451 129.6
[M-H]- 115.12407 127.1
[M+Na-2H]- 137.10602 130.0
[M]+ 116.13080 127.3
[M]- 116.13190 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe