CID 59677

102586-06-1

Structural Information

Molecular Formula
C10H20N6O5
SMILES
CCOC(=O)C(CCCCN(CN)N=O)N(C(=O)N)N=O
InChI
InChI=1S/C10H20N6O5/c1-2-21-9(17)8(16(14-20)10(12)18)5-3-4-6-15(7-11)13-19/h8H,2-7,11H2,1H3,(H2,12,18)
InChIKey
NEMKILBTAPWFOQ-UHFFFAOYSA-N
Compound name
ethyl 6-[aminomethyl(nitroso)amino]-2-[carbamoyl(nitroso)amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1495 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15678 167.0
[M+Na]+ 327.13872 168.6
[M-H]- 303.14222 171.1
[M+NH4]+ 322.18332 181.2
[M+K]+ 343.11266 173.6
[M+H-H2O]+ 287.14676 157.3
[M+HCOO]- 349.14770 196.9
[M+CH3COO]- 363.16335 228.7
[M+Na-2H]- 325.12417 167.8
[M]+ 304.14895 171.1
[M]- 304.15005 171.1
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.