CID 66977

Synthalin

Structural Information

Molecular Formula
C12H28N6
SMILES
C(CCCCCN=C(N)N)CCCCN=C(N)N
InChI
InChI=1S/C12H28N6/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16/h1-10H2,(H4,13,14,17)(H4,15,16,18)
InChIKey
OZZMUVKANAPKGI-UHFFFAOYSA-N
Compound name
2-[10-(diaminomethylideneamino)decyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

112
Patents

256.23755 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.24483 162.7
[M+Na]+ 279.22677 163.5
[M-H]- 255.23027 162.6
[M+NH4]+ 274.27137 177.8
[M+K]+ 295.20071 162.4
[M+H-H2O]+ 239.23481 153.8
[M+HCOO]- 301.23575 189.3
[M+CH3COO]- 315.25140 217.1
[M+Na-2H]- 277.21222 162.6
[M]+ 256.23700 158.2
[M]- 256.23810 158.2
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