CID 162345582

Ns00133540

Structural Information

Molecular Formula
C4H6ClN3
SMILES
CN(C)C(=NC#N)Cl
InChI
InChI=1S/C4H6ClN3/c1-8(2)4(5)7-3-6/h1-2H3
InChIKey
WGXSBCNSSVRWAO-UHFFFAOYSA-N
Compound name
N'-cyano-N,N-dimethylcarbamimidoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.02502 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.032296 126.4
[M+Na]+ 154.014238 135.9
[M-H]- 130.017744 129.8
[M+NH4]+ 149.058843 147.6
[M+K]+ 169.988178 135.7
[M+H-H2O]+ 114.022280 115.4
[M+HCOO]- 176.023221 145.9
[M+CH3COO]- 190.038871 193.0
[M+Na-2H]- 151.999686 132.4
[M]+ 131.02447142 123.5
[M]- 131.02556858 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.