CID 135464373

13010-08-7

Structural Information

Molecular Formula
C5H11N5O3
SMILES
CCCCN(C(=N)N[N+](=O)[O-])N=O
InChI
InChI=1S/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)
InChIKey
FJNCPBNCTRDXFB-UHFFFAOYSA-N
Compound name
1-butyl-3-nitro-1-nitrosoguanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

189.08618 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09346 135.1
[M+Na]+ 212.07540 139.3
[M-H]- 188.07890 138.1
[M+NH4]+ 207.12000 153.6
[M+K]+ 228.04934 137.4
[M+H-H2O]+ 172.08344 132.6
[M+HCOO]- 234.08438 165.9
[M+CH3COO]- 248.10003 190.3
[M+Na-2H]- 210.06085 143.3
[M]+ 189.08563 133.7
[M]- 189.08673 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.