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

23
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 146.2
[M+Na]+ 194.16277 149.4
[M-H]- 170.16627 147.0
[M+NH4]+ 189.20737 165.9
[M+K]+ 210.13671 150.3
[M+H-H2O]+ 154.17081 139.9
[M+HCOO]- 216.17175 169.0
[M+CH3COO]- 230.18740 194.9
[M+Na-2H]- 192.14822 146.4
[M]+ 171.17300 143.5
[M]- 171.17410 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