CID 15853

Dibutadiamin dihydrochloride

Structural Information

Molecular Formula
C8H20N2
SMILES
CC(C)(C)NCCCCN
InChI
InChI=1S/C8H20N2/c1-8(2,3)10-7-5-4-6-9/h10H,4-7,9H2,1-3H3
InChIKey
JAUBXQBMUWRRNS-UHFFFAOYSA-N
Compound name
N'-tert-butylbutane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

87
Patents

144.16264 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.16992 136.6
[M+Na]+ 167.15186 141.8
[M-H]- 143.15536 136.2
[M+NH4]+ 162.19646 157.6
[M+K]+ 183.12580 141.0
[M+H-H2O]+ 127.15990 131.7
[M+HCOO]- 189.16084 159.5
[M+CH3COO]- 203.17649 181.9
[M+Na-2H]- 165.13731 142.4
[M]+ 144.16209 135.3
[M]- 144.16319 135.3
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