CID 22743653

N1,n1,3-trimethylbutane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula
C7H18N2
SMILES
CC(C)(CCN(C)C)N
InChI
InChI=1S/C7H18N2/c1-7(2,8)5-6-9(3)4/h5-6,8H2,1-4H3
InChIKey
XJZJEGHBTQCDKG-UHFFFAOYSA-N
Compound name
1-N,1-N,3-trimethylbutane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

130.147 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.15428 131.6
[M+Na]+ 153.13622 137.4
[M-H]- 129.13972 132.9
[M+NH4]+ 148.18082 153.8
[M+K]+ 169.11016 138.2
[M+H-H2O]+ 113.14426 126.7
[M+HCOO]- 175.14520 155.4
[M+CH3COO]- 189.16085 183.0
[M+Na-2H]- 151.12167 137.3
[M]+ 130.14645 131.4
[M]- 130.14755 131.4
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