CID 20890

1-isopropylbiguanide hydrochloride

Structural Information

Molecular Formula
C5H13N5
SMILES
CC(C)N=C(N)N=C(N)N
InChI
InChI=1S/C5H13N5/c1-3(2)9-5(8)10-4(6)7/h3H,1-2H3,(H6,6,7,8,9,10)
InChIKey
UBBHRFLEDZWRNR-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-propan-2-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

143.1171 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.12438 133.1
[M+Na]+ 166.10632 137.4
[M-H]- 142.10982 135.0
[M+NH4]+ 161.15092 153.3
[M+K]+ 182.08026 138.6
[M+H-H2O]+ 126.11436 126.1
[M+HCOO]- 188.11530 160.6
[M+CH3COO]- 202.13095 191.3
[M+Na-2H]- 164.09177 135.5
[M]+ 143.11655 127.0
[M]- 143.11765 127.0
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.