CID 11970421

25665-08-1

Structural Information

Molecular Formula
C10H23N5
SMILES
CCCCC(CC)CN=C(N)N=C(N)N
InChI
InChI=1S/C10H23N5/c1-3-5-6-8(4-2)7-14-10(13)15-9(11)12/h8H,3-7H2,1-2H3,(H6,11,12,13,14,15)
InChIKey
IPVTWNBWVXXRLE-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-(2-ethylhexyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

213.19534 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.202616 155.2
[M+Na]+ 236.184558 157.5
[M-H]- 212.188064 156.2
[M+NH4]+ 231.229163 172.8
[M+K]+ 252.158498 157.5
[M+H-H2O]+ 196.192600 147.3
[M+HCOO]- 258.193541 181.1
[M+CH3COO]- 272.209191 206.5
[M+Na-2H]- 234.170006 155.2
[M]+ 213.19479142 151.0
[M]- 213.19588858 151.0
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