CID 58402

101491-40-1

Structural Information

Molecular Formula
C10H23N5
SMILES
CCCCN=C(N)NC(=NCCCC)N
InChI
InChI=1S/C10H23N5/c1-3-5-7-13-9(11)15-10(12)14-8-6-4-2/h3-8H2,1-2H3,(H5,11,12,13,14,15)
InChIKey
OOXNYFNNOQFVBR-UHFFFAOYSA-N
Compound name
2-butyl-1-(N'-butylcarbamimidoyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

213.19534 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.202616 154.0
[M+Na]+ 236.184558 156.5
[M-H]- 212.188064 155.4
[M+NH4]+ 231.229163 171.9
[M+K]+ 252.158498 156.3
[M+H-H2O]+ 196.192600 146.0
[M+HCOO]- 258.193541 181.5
[M+CH3COO]- 272.209191 205.5
[M+Na-2H]- 234.170006 156.3
[M]+ 213.19479142 151.4
[M]- 213.19588858 151.4
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