CID 9485

N,n-diisobutylguanidine nitrate

Structural Information

Molecular Formula
C9H21N3
SMILES
CC(C)CN(CC(C)C)C(=N)N
InChI
InChI=1S/C9H21N3/c1-7(2)5-12(9(10)11)6-8(3)4/h7-8H,5-6H2,1-4H3,(H3,10,11)
InChIKey
WALDZXWGTQALJM-UHFFFAOYSA-N
Compound name
1,1-bis(2-methylpropyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

171.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.180826 146.2
[M+Na]+ 194.162768 149.4
[M-H]- 170.166274 147.0
[M+NH4]+ 189.207373 165.9
[M+K]+ 210.136708 150.3
[M+H-H2O]+ 154.170810 139.9
[M+HCOO]- 216.171751 169.0
[M+CH3COO]- 230.187401 194.9
[M+Na-2H]- 192.148216 146.4
[M]+ 171.17300142 143.5
[M]- 171.17409858 143.5
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