CID 427024

N'-tert-butyl-n-nitroguanidine

Structural Information

Molecular Formula
C5H12N4O2
SMILES
CC(C)(C)N=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C5H12N4O2/c1-5(2,3)7-4(6)8-9(10)11/h1-3H3,(H3,6,7,8)
InChIKey
RFCRYSVMXFATCK-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.09602 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.103296 130.3
[M+Na]+ 183.085238 135.6
[M-H]- 159.088744 131.9
[M+NH4]+ 178.129843 149.9
[M+K]+ 199.059178 132.5
[M+H-H2O]+ 143.093280 129.5
[M+HCOO]- 205.094221 157.2
[M+CH3COO]- 219.109871 179.4
[M+Na-2H]- 181.070686 138.8
[M]+ 160.09547142 126.3
[M]- 160.09656858 126.3
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

No patent data available for this compound.