CID 108499

60737-54-4

Structural Information

Molecular Formula
C9H14N2O2
SMILES
C1CC(=C[N+](=O)[O-])N(C1)CC2CC2
InChI
InChI=1S/C9H14N2O2/c12-11(13)7-9-2-1-5-10(9)6-8-3-4-8/h7-8H,1-6H2
InChIKey
JGZSQTNMSGRPHP-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)-2-(nitromethylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 138.5
[M+Na]+ 205.094748 145.8
[M-H]- 181.098254 144.2
[M+NH4]+ 200.139353 153.1
[M+K]+ 221.068688 138.7
[M+H-H2O]+ 165.102790 136.2
[M+HCOO]- 227.103731 161.1
[M+CH3COO]- 241.119381 177.8
[M+Na-2H]- 203.080196 143.5
[M]+ 182.10498142 136.1
[M]- 182.10607858 136.1
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

No patent data available for this compound.