CID 19456

N-ethyl-n-methylguanidine

Structural Information

Molecular Formula
C4H11N3
SMILES
CCN(C)C(=N)N
InChI
InChI=1S/C4H11N3/c1-3-7(2)4(5)6/h3H2,1-2H3,(H3,5,6)
InChIKey
FWGSQBLSFXFROK-UHFFFAOYSA-N
Compound name
1-ethyl-1-methylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

101.0953 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.10258 121.7
[M+Na]+ 124.08452 127.5
[M-H]- 100.08802 123.3
[M+NH4]+ 119.12912 144.4
[M+K]+ 140.05846 128.6
[M+H-H2O]+ 84.092560 116.2
[M+HCOO]- 146.09350 148.2
[M+CH3COO]- 160.10915 177.8
[M+Na-2H]- 122.06997 127.2
[M]+ 101.09475 118.5
[M]- 101.09585 118.5
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