CID 52545

((2-chloroethylidene)amino)guanidine hydrochloride

Structural Information

Molecular Formula
C3H7ClN4
SMILES
C(CCl)N=NC(=N)N
InChI
InChI=1S/C3H7ClN4/c4-1-2-7-8-3(5)6/h1-2H2,(H3,5,6)
InChIKey
SSMAECBQCQRDGL-UHFFFAOYSA-N
Compound name
1-(2-chloroethylimino)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.03592 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04320 126.4
[M+Na]+ 157.02514 133.4
[M-H]- 133.02864 129.1
[M+NH4]+ 152.06974 148.8
[M+K]+ 172.99908 132.3
[M+H-H2O]+ 117.03318 121.2
[M+HCOO]- 179.03412 152.2
[M+CH3COO]- 193.04977 183.8
[M+Na-2H]- 155.01059 133.7
[M]+ 134.03537 125.6
[M]- 134.03647 125.6
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.