CID 37265

35799-08-7

Structural Information

Molecular Formula
C9H19N5O3
SMILES
CCCCCCCCN(C(=N[N+](=O)[O-])N)N=O
InChI
InChI=1S/C9H19N5O3/c1-2-3-4-5-6-7-8-13(12-15)9(10)11-14(16)17/h2-8H2,1H3,(H2,10,11)
InChIKey
AOZCQGYQFGAKBG-UHFFFAOYSA-N
Compound name
2-nitro-1-nitroso-1-octylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

245.14879 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.15607 154.3
[M+Na]+ 268.13801 157.2
[M-H]- 244.14151 157.5
[M+NH4]+ 263.18261 171.1
[M+K]+ 284.11195 155.0
[M+H-H2O]+ 228.14605 150.8
[M+HCOO]- 290.14699 184.7
[M+CH3COO]- 304.16264 204.4
[M+Na-2H]- 266.12346 159.9
[M]+ 245.14824 155.3
[M]- 245.14934 155.3
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

patents stripe