CID 93785

57734-58-4

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1CC(=C[N+](=O)[O-])N(C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O2/c15-14(16)10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2
InChIKey
QGRRJDFZPVWRGG-UHFFFAOYSA-N
Compound name
1-benzyl-2-(nitromethylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

218.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 149.8
[M+Na]+ 241.094748 154.9
[M-H]- 217.098254 154.6
[M+NH4]+ 236.139353 167.4
[M+K]+ 257.068688 147.7
[M+H-H2O]+ 201.102790 146.7
[M+HCOO]- 263.103731 172.7
[M+CH3COO]- 277.119381 180.2
[M+Na-2H]- 239.080196 154.8
[M]+ 218.10498142 144.9
[M]- 218.10607858 144.9
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