CID 93369

N-(2,2-diethoxyethyl)-2,2-diethoxy-n-nitrosoethanamine

Structural Information

Molecular Formula
C12H26N2O5
SMILES
CCOC(CN(CC(OCC)OCC)N=O)OCC
InChI
InChI=1S/C12H26N2O5/c1-5-16-11(17-6-2)9-14(13-15)10-12(18-7-3)19-8-4/h11-12H,5-10H2,1-4H3
InChIKey
CLLVHWHUSNPTPA-UHFFFAOYSA-N
Compound name
N,N-bis(2,2-diethoxyethyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

278.18417 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19145 166.9
[M+Na]+ 301.17339 169.9
[M-H]- 277.17689 168.8
[M+NH4]+ 296.21799 183.3
[M+K]+ 317.14733 173.3
[M+H-H2O]+ 261.18143 159.1
[M+HCOO]- 323.18237 192.1
[M+CH3COO]- 337.19802 211.9
[M+Na-2H]- 299.15884 168.7
[M]+ 278.18362 177.2
[M]- 278.18472 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.