CID 58751

101710-60-5

Structural Information

Molecular Formula
C7H18N5O2
SMILES
C[N+](C)(C)CCCN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C7H18N5O2/c1-12(2,3)6-4-5-9-7(8)10-11(13)14/h4-6H2,1-3H3,(H3,8,9,10)/q+1
InChIKey
JCFORGXAAKXWBT-UHFFFAOYSA-N
Compound name
3-[[amino(nitramido)methylidene]amino]propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.14606 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15334 137.8
[M+Na]+ 227.13528 141.7
[M-H]- 203.13878 140.4
[M+NH4]+ 222.17988 155.6
[M+K]+ 243.10922 133.3
[M+H-H2O]+ 187.14332 138.9
[M+HCOO]- 249.14426 165.7
[M+CH3COO]- 263.15991 187.3
[M+Na-2H]- 225.12073 148.8
[M]+ 204.14551 133.9
[M]- 204.14661 133.9
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.