CID 12647537

(1-aminopropan-2-yl)diethylamine

Structural Information

Molecular Formula
C7H18N2
SMILES
CCN(CC)C(C)CN
InChI
InChI=1S/C7H18N2/c1-4-9(5-2)7(3)6-8/h7H,4-6,8H2,1-3H3
InChIKey
JNFLSJUGIONDMJ-UHFFFAOYSA-N
Compound name
2-N,2-N-diethylpropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

130.147 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.15428 132.9
[M+Na]+ 153.13622 137.9
[M-H]- 129.13972 133.9
[M+NH4]+ 148.18082 154.8
[M+K]+ 169.11016 138.9
[M+H-H2O]+ 113.14426 127.3
[M+HCOO]- 175.14520 157.2
[M+CH3COO]- 189.16085 183.6
[M+Na-2H]- 151.12167 136.6
[M]+ 130.14645 132.4
[M]- 130.14755 132.4
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