CID 137224414

1-ethyl-2-nitroguanidine

Structural Information

Molecular Formula
C3H8N4O2
SMILES
CCNC(=N[N+](=O)[O-])N
InChI
InChI=1S/C3H8N4O2/c1-2-5-3(4)6-7(8)9/h2H2,1H3,(H3,4,5,6)
InChIKey
ZNSWVUMAGGGYMN-UHFFFAOYSA-N
Compound name
1-ethyl-2-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

132.06473 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.072006 121.6
[M+Na]+ 155.053948 127.2
[M-H]- 131.057454 123.1
[M+NH4]+ 150.098553 142.1
[M+K]+ 171.027888 124.2
[M+H-H2O]+ 115.061990 120.4
[M+HCOO]- 177.062931 150.7
[M+CH3COO]- 191.078581 173.9
[M+Na-2H]- 153.039396 130.0
[M]+ 132.06418142 117.5
[M]- 132.06527858 117.5
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

patents stripe