CID 135554474

Schembl8373451

Structural Information

Molecular Formula
C5H10N4O2
SMILES
C1CCNC(=N[N+](=O)[O-])NC1
InChI
InChI=1S/C5H10N4O2/c10-9(11)8-5-6-3-1-2-4-7-5/h1-4H2,(H2,6,7,8)
InChIKey
IIUAUCCKFFABTQ-UHFFFAOYSA-N
Compound name
N-(1,3-diazepan-2-ylidene)nitramide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.08037 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08765 130.0
[M+Na]+ 181.06959 132.4
[M-H]- 157.07309 130.2
[M+NH4]+ 176.11419 144.7
[M+K]+ 197.04353 131.8
[M+H-H2O]+ 141.07763 126.0
[M+HCOO]- 203.07857 149.1
[M+CH3COO]- 217.09422 169.9
[M+Na-2H]- 179.05504 137.8
[M]+ 158.07982 117.9
[M]- 158.08092 117.9
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.