CID 37045

Dtxsid90188588

Structural Information

Molecular Formula
C7H15N5O3
SMILES
CCCCCCN(C(=N[N+](=O)[O-])N)N=O
InChI
InChI=1S/C7H15N5O3/c1-2-3-4-5-6-11(10-13)7(8)9-12(14)15/h2-6H2,1H3,(H2,8,9)
InChIKey
OKEOKSSXTJTRSL-UHFFFAOYSA-N
Compound name
1-hexyl-2-nitro-1-nitrosoguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.1175 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12478 146.8
[M+Na]+ 240.10672 152.9
[M+NH4]+ 235.15132 152.2
[M+K]+ 256.08066 152.2
[M-H]- 216.11022 148.6
[M+Na-2H]- 238.09217 149.1
[M]+ 217.11695 147.4
[M]- 217.11805 147.4
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.