CID 5473740

5459-12-1

Structural Information

Molecular Formula
C4H9ClN4
SMILES
C/C(=N/N=C(N)N)/CCl
InChI
InChI=1S/C4H9ClN4/c1-3(2-5)8-9-4(6)7/h2H2,1H3,(H4,6,7,9)/b8-3-
InChIKey
PFAKVDNMGVXKKW-BAQGIRSFSA-N
Compound name
2-[(Z)-1-chloropropan-2-ylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

148.05157 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05885 132.1
[M+Na]+ 171.04079 138.5
[M-H]- 147.04429 134.3
[M+NH4]+ 166.08539 153.6
[M+K]+ 187.01473 137.3
[M+H-H2O]+ 131.04883 126.8
[M+HCOO]- 193.04977 156.1
[M+CH3COO]- 207.06542 187.1
[M+Na-2H]- 169.02624 136.5
[M]+ 148.05102 130.0
[M]- 148.05212 130.0
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.