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

21
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

literature stripe

Patent stripe

patents stripe