CID 66073

N-(n-propyl)ethylenediamine

Structural Information

Molecular Formula
C5H14N2
SMILES
CCCNCCN
InChI
InChI=1S/C5H14N2/c1-2-4-7-5-3-6/h7H,2-6H2,1H3
InChIKey
CFNHVUGPXZUTRR-UHFFFAOYSA-N
Compound name
N'-propylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

10293
Patents

102.1157 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.12298 122.3
[M+Na]+ 125.10492 128.2
[M-H]- 101.10842 122.1
[M+NH4]+ 120.14952 144.7
[M+K]+ 141.07886 127.8
[M+H-H2O]+ 85.112960 117.2
[M+HCOO]- 147.11390 147.7
[M+CH3COO]- 161.12955 173.1
[M+Na-2H]- 123.09037 129.2
[M]+ 102.11515 120.5
[M]- 102.11625 120.5
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