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

15
Patents

156.08987 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 134.3
[M+Na]+ 179.07909 140.6
[M-H]- 155.08259 136.3
[M+NH4]+ 174.12369 155.0
[M+K]+ 195.05303 135.6
[M+H-H2O]+ 139.08713 133.0
[M+HCOO]- 201.08807 157.5
[M+CH3COO]- 215.10372 169.5
[M+Na-2H]- 177.06454 139.7
[M]+ 156.08932 130.2
[M]- 156.09042 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