CID 5288371

1-guanidinium-7-aminoheptane

Structural Information

Molecular Formula
C8H22N4
SMILES
C(CCCN)CCCNC(N)N
InChI
InChI=1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2
InChIKey
SKGAVCHIFDRDTK-UHFFFAOYSA-N
Compound name
N\""-(7-aminoheptyl)methanetriamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

174.18445 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.19173 142.1
[M+Na]+ 197.17367 144.8
[M-H]- 173.17717 140.2
[M+NH4]+ 192.21827 160.2
[M+K]+ 213.14761 143.5
[M+H-H2O]+ 157.18171 135.2
[M+HCOO]- 219.18265 166.3
[M+CH3COO]- 233.19830 192.3
[M+Na-2H]- 195.15912 144.5
[M]+ 174.18390 137.1
[M]- 174.18500 137.1
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.