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

232
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

literature stripe

Patent stripe

patents stripe