CID 14461

1,1-dimethylguanidine

Structural Information

Molecular Formula
C3H9N3
SMILES
CN(C)C(=N)N
InChI
InChI=1S/C3H9N3/c1-6(2)3(4)5/h1-2H3,(H3,4,5)
InChIKey
SWSQBOPZIKWTGO-UHFFFAOYSA-N
Compound name
1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

27312
Patents

87.07965 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.086926 117.1
[M+Na]+ 110.06887 123.3
[M-H]- 86.072374 118.9
[M+NH4]+ 105.11347 140.3
[M+K]+ 126.04281 124.7
[M+H-H2O]+ 70.076910 111.8
[M+HCOO]- 132.07785 143.9
[M+CH3COO]- 146.09350 174.7
[M+Na-2H]- 108.05432 123.1
[M]+ 87.079101 113.5
[M]- 87.080199 113.5
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