CID 2468

Buformin

Structural Information

Molecular Formula
C6H15N5
SMILES
CCCCN=C(N)N=C(N)N
InChI
InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11)
InChIKey
XSEUMFJMFFMCIU-UHFFFAOYSA-N
Compound name
2-butyl-1-(diaminomethylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

252
References

18960
Patents

157.13275 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.14003 136.0
[M+Na]+ 180.12197 140.1
[M-H]- 156.12547 137.5
[M+NH4]+ 175.16657 155.7
[M+K]+ 196.09591 140.5
[M+H-H2O]+ 140.13001 128.7
[M+HCOO]- 202.13095 164.1
[M+CH3COO]- 216.14660 193.4
[M+Na-2H]- 178.10742 139.3
[M]+ 157.13220 130.9
[M]- 157.13330 130.9
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.