CID 1712702

Einecs 247-494-6

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CCN\1CCC/C1=C/[N+](=O)[O-]
InChI
InChI=1S/C7H12N2O2/c1-2-8-5-3-4-7(8)6-9(10)11/h6H,2-5H2,1H3/b7-6-
InChIKey
MSXAUUYIGJZVTR-SREVYHEPSA-N
Compound name
(2Z)-1-ethyl-2-(nitromethylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

156.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 134.3
[M+Na]+ 179.079088 140.6
[M-H]- 155.082594 136.3
[M+NH4]+ 174.123693 155.0
[M+K]+ 195.053028 135.6
[M+H-H2O]+ 139.087130 133.0
[M+HCOO]- 201.088071 157.5
[M+CH3COO]- 215.103721 169.5
[M+Na-2H]- 177.064536 139.7
[M]+ 156.08932142 130.2
[M]- 156.09041858 130.2
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

patents stripe