CID 19773253

Alpha -ethynylagmatine

Structural Information

Molecular Formula
C7H14N4
SMILES
C#CC(CCCN=C(N)N)N
InChI
InChI=1S/C7H14N4/c1-2-6(8)4-3-5-11-7(9)10/h1,6H,3-5,8H2,(H4,9,10,11)
InChIKey
VPTPVJMIJOZPON-UHFFFAOYSA-N
Compound name
2-(4-aminohex-5-ynyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.12184 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 139.6
[M+Na]+ 177.111058 145.3
[M-H]- 153.114564 138.6
[M+NH4]+ 172.155663 156.6
[M+K]+ 193.084998 144.7
[M+H-H2O]+ 137.119100 127.1
[M+HCOO]- 199.120041 158.6
[M+CH3COO]- 213.135691 196.5
[M+Na-2H]- 175.096506 140.7
[M]+ 154.12129142 129.1
[M]- 154.12238858 129.1
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

patents stripe