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]+ 155.12912 139.6
[M+Na]+ 177.11106 145.3
[M-H]- 153.11456 138.6
[M+NH4]+ 172.15566 156.6
[M+K]+ 193.08500 144.7
[M+H-H2O]+ 137.11910 127.1
[M+HCOO]- 199.12004 158.6
[M+CH3COO]- 213.13569 196.5
[M+Na-2H]- 175.09651 140.7
[M]+ 154.12129 129.1
[M]- 154.12239 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