CID 85238

N,n'-dimethylbutane-1,4-diamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CNCCCCNC
InChI
InChI=1S/C6H16N2/c1-7-5-3-4-6-8-2/h7-8H,3-6H2,1-2H3
InChIKey
CZPRYVBLOUZRGD-UHFFFAOYSA-N
Compound name
N,N'-dimethylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1491
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 126.6
[M+Na]+ 139.120568 132.0
[M-H]- 115.124074 126.7
[M+NH4]+ 134.165173 148.7
[M+K]+ 155.094508 131.7
[M+H-H2O]+ 99.128610 121.3
[M+HCOO]- 161.129551 152.3
[M+CH3COO]- 175.145201 176.9
[M+Na-2H]- 137.106016 134.0
[M]+ 116.13080142 126.2
[M]- 116.13189858 126.2
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