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]+ 161.10330 130.3
[M+Na]+ 183.08524 135.6
[M-H]- 159.08874 131.9
[M+NH4]+ 178.12984 149.9
[M+K]+ 199.05918 132.5
[M+H-H2O]+ 143.09328 129.5
[M+HCOO]- 205.09422 157.2
[M+CH3COO]- 219.10987 179.4
[M+Na-2H]- 181.07069 138.8
[M]+ 160.09547 126.3
[M]- 160.09657 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.