CID 20977

Refchem:1091823

Structural Information

Molecular Formula
C8H19N5
SMILES
CCCCCCN=C(N)N=C(N)N
InChI
InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)
InChIKey
VAZJLPXFVQHDFB-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-hexylguanidine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

581
References

25213
Patents

185.16405 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.17133 144.7
[M+Na]+ 208.15327 148.0
[M-H]- 184.15677 146.0
[M+NH4]+ 203.19787 163.4
[M+K]+ 224.12721 148.0
[M+H-H2O]+ 168.16131 137.1
[M+HCOO]- 230.16225 172.3
[M+CH3COO]- 244.17790 199.5
[M+Na-2H]- 206.13872 147.1
[M]+ 185.16350 140.4
[M]- 185.16460 140.4
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