CID 3017376

2-ethylbutane-1,4-diamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CCC(CCN)CN
InChI
InChI=1S/C6H16N2/c1-2-6(5-8)3-4-7/h6H,2-5,7-8H2,1H3
InChIKey
XGJHPGPVESLKKD-UHFFFAOYSA-N
Compound name
2-ethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1170
Patents

116.13135 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.138626 128.3
[M+Na]+ 139.120568 133.5
[M-H]- 115.124074 127.4
[M+NH4]+ 134.165173 149.8
[M+K]+ 155.094508 133.0
[M+H-H2O]+ 99.128610 123.1
[M+HCOO]- 161.129551 151.8
[M+CH3COO]- 175.145201 176.3
[M+Na-2H]- 137.106016 132.2
[M]+ 116.13080142 125.1
[M]- 116.13189858 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe