CID 7567962

4-(ethylamino)-n-butylamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CCNCCCCN
InChI
InChI=1S/C6H16N2/c1-2-8-6-4-3-5-7/h8H,2-7H2,1H3
InChIKey
ONCPEIKLFULSSA-UHFFFAOYSA-N
Compound name
N'-ethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

648
Patents

116.13135 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.13863 126.8
[M+Na]+ 139.12057 132.3
[M-H]- 115.12407 126.4
[M+NH4]+ 134.16517 148.7
[M+K]+ 155.09451 131.6
[M+H-H2O]+ 99.128610 121.6
[M+HCOO]- 161.12955 151.9
[M+CH3COO]- 175.14520 176.2
[M+Na-2H]- 137.10602 133.2
[M]+ 116.13080 125.4
[M]- 116.13190 125.4
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