CID 3520

Guanidine

Structural Information

Molecular Formula
CH5N3
SMILES
C(=N)(N)N
InChI
InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
InChIKey
ZRALSGWEFCBTJO-UHFFFAOYSA-N
Compound name
guanidine
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

9264
References

179026
Patents

59.048347 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 60.055623 107.6
[M+Na]+ 82.037565 114.3
[M-H]- 58.041071 107.6
[M+NH4]+ 77.082170 130.8
[M+K]+ 98.011505 114.4
[M+H-H2O]+ 42.045607 102.8
[M+HCOO]- 104.04655 133.8
[M+CH3COO]- 118.06220 165.2
[M+Na-2H]- 80.023013 114.3
[M]+ 59.047798 101.0
[M]- 59.048896 101.0
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