CID 14467

1,1-diethylguanidine

Structural Information

Molecular Formula
C5H13N3
SMILES
CCN(CC)C(=N)N
InChI
InChI=1S/C5H13N3/c1-3-8(4-2)5(6)7/h3-4H2,1-2H3,(H3,6,7)
InChIKey
PDDWJLGBNYUCQO-UHFFFAOYSA-N
Compound name
1,1-diethylguanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1963
Patents

115.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.11823 126.3
[M+Na]+ 138.10017 131.7
[M-H]- 114.10367 127.7
[M+NH4]+ 133.14477 148.4
[M+K]+ 154.07411 132.5
[M+H-H2O]+ 98.108210 120.6
[M+HCOO]- 160.10915 152.5
[M+CH3COO]- 174.12480 180.8
[M+Na-2H]- 136.08562 131.3
[M]+ 115.11040 123.5
[M]- 115.11150 123.5
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