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

15
Patents

171.17355 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.18083 144.7
[M+Na]+ 194.16277 150.7
[M+NH4]+ 189.20737 151.4
[M+K]+ 210.13671 147.2
[M-H]- 170.16627 145.1
[M+Na-2H]- 192.14822 146.5
[M]+ 171.17300 145.1
[M]- 171.17410 145.1
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