CID 57145577

N3,n3-dimethylpyrrolidine-3,4-diamine trihydrochloride

Structural Information

Molecular Formula
C6H15N3
SMILES
CN(C)C1CNCC1N
InChI
InChI=1S/C6H15N3/c1-9(2)6-4-8-3-5(6)7/h5-6,8H,3-4,7H2,1-2H3
InChIKey
UVCYEBCDODRTLL-UHFFFAOYSA-N
Compound name
3-N,3-N-dimethylpyrrolidine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

129.1266 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.133876 128.9
[M+Na]+ 152.115818 134.3
[M-H]- 128.119324 130.5
[M+NH4]+ 147.160423 150.5
[M+K]+ 168.089758 133.9
[M+H-H2O]+ 112.123860 122.4
[M+HCOO]- 174.124801 151.3
[M+CH3COO]- 188.140451 176.7
[M+Na-2H]- 150.101266 132.0
[M]+ 129.12605142 123.2
[M]- 129.12714858 123.2
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