CID 22056424

2-cyanoethanimidamide hydrochloride

Structural Information

Molecular Formula
C3H5N3
SMILES
C(C#N)C(=N)N
InChI
InChI=1S/C3H5N3/c4-2-1-3(5)6/h1H2,(H3,5,6)
InChIKey
NUPLLTDVHPEUQM-UHFFFAOYSA-N
Compound name
2-cyanoethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

83.04835 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.055626 117.0
[M+Na]+ 106.037568 125.3
[M-H]- 82.041074 117.6
[M+NH4]+ 101.082173 137.5
[M+K]+ 122.011508 125.4
[M+H-H2O]+ 66.045610 105.7
[M+HCOO]- 128.046551 138.5
[M+CH3COO]- 142.062201 181.9
[M+Na-2H]- 104.023016 123.2
[M]+ 83.04780142 108.5
[M]- 83.04889858 108.5
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