CID 2227

Arcaine

Structural Information

Molecular Formula
C6H16N6
SMILES
C(CCN=C(N)N)CN=C(N)N
InChI
InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
InChIKey
HGMDNMBBCKDWTQ-UHFFFAOYSA-N
Compound name
2-[4-(diaminomethylideneamino)butyl]guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

119
References

280
Patents

172.14365 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15093 137.3
[M+Na]+ 195.13287 140.5
[M-H]- 171.13637 138.3
[M+NH4]+ 190.17747 155.6
[M+K]+ 211.10681 140.8
[M+H-H2O]+ 155.14091 129.4
[M+HCOO]- 217.14185 165.7
[M+CH3COO]- 231.15750 199.1
[M+Na-2H]- 193.11832 139.9
[M]+ 172.14310 130.6
[M]- 172.14420 130.6
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.