CID 62952309

4,4-dimethylpentane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C7H18N2
SMILES
CC(C)(C)CC(CN)N
InChI
InChI=1S/C7H18N2/c1-7(2,3)4-6(9)5-8/h6H,4-5,8-9H2,1-3H3
InChIKey
NWMYXAPASNVRQE-UHFFFAOYSA-N
Compound name
4,4-dimethylpentane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

130.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.154276 132.8
[M+Na]+ 153.136218 138.2
[M-H]- 129.139724 132.2
[M+NH4]+ 148.180823 154.0
[M+K]+ 169.110158 137.8
[M+H-H2O]+ 113.144260 128.2
[M+HCOO]- 175.145201 154.5
[M+CH3COO]- 189.160851 179.0
[M+Na-2H]- 151.121666 136.8
[M]+ 130.14645142 129.5
[M]- 130.14754858 129.5
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