CID 30119

Biguanide, 1-propyl-, monohydrochloride

Structural Information

Molecular Formula
C5H13N5
SMILES
CCCN=C(N)N=C(N)N
InChI
InChI=1S/C5H13N5/c1-2-3-9-5(8)10-4(6)7/h2-3H2,1H3,(H6,6,7,8,9,10)
InChIKey
FAPXKQMFIRYKMF-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-propylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

143.1171 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.12438 131.5
[M+Na]+ 166.10632 136.1
[M-H]- 142.10982 133.3
[M+NH4]+ 161.15092 151.9
[M+K]+ 182.08026 136.7
[M+H-H2O]+ 126.11436 124.5
[M+HCOO]- 188.11530 160.0
[M+CH3COO]- 202.13095 190.4
[M+Na-2H]- 164.09177 135.3
[M]+ 143.11655 126.1
[M]- 143.11765 126.1
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.