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 145.0
[M+Na]+ 240.10672 148.7
[M-H]- 216.11022 148.5
[M+NH4]+ 235.15132 162.8
[M+K]+ 256.08066 146.9
[M+H-H2O]+ 200.11476 141.8
[M+HCOO]- 262.11570 175.9
[M+CH3COO]- 276.13135 198.4
[M+Na-2H]- 238.09217 151.6
[M]+ 217.11695 145.2
[M]- 217.11805 145.2
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.