CID 66460

1,1,3,3-tetramethylguanidine

Structural Information

Molecular Formula
C5H13N3
SMILES
CN(C)C(=N)N(C)C
InChI
InChI=1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3
InChIKey
KYVBNYUBXIEUFW-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethylguanidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

63
References

45008
Patents

115.11095 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.118226 126.4
[M+Na]+ 138.100168 132.0
[M-H]- 114.103674 129.9
[M+NH4]+ 133.144773 149.5
[M+K]+ 154.074108 134.6
[M+H-H2O]+ 98.108210 120.6
[M+HCOO]- 160.109151 153.6
[M+CH3COO]- 174.124801 184.4
[M+Na-2H]- 136.085616 131.6
[M]+ 115.11040142 125.8
[M]- 115.11149858 125.8
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