CID 13796119

137554-10-0

Structural Information

Molecular Formula
C6H17N3
SMILES
CCNCCNCCN
InChI
InChI=1S/C6H17N3/c1-2-8-5-6-9-4-3-7/h8-9H,2-7H2,1H3
InChIKey
NVSOSQNIJKZFBR-UHFFFAOYSA-N
Compound name
N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

453
Patents

131.14224 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.149516 129.6
[M+Na]+ 154.131458 134.2
[M-H]- 130.134964 129.1
[M+NH4]+ 149.176063 150.5
[M+K]+ 170.105398 133.5
[M+H-H2O]+ 114.139500 123.7
[M+HCOO]- 176.140441 155.7
[M+CH3COO]- 190.156091 181.2
[M+Na-2H]- 152.116906 136.3
[M]+ 131.14169142 127.4
[M]- 131.14278858 127.4
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