CID 2247078

Stl324768

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1C/C(=C/[N+](=O)[O-])/N(C1)CC#N
InChI
InChI=1S/C7H9N3O2/c8-3-5-9-4-1-2-7(9)6-10(11)12/h6H,1-2,4-5H2/b7-6-
InChIKey
UUBCVVUIZRGQQU-SREVYHEPSA-N
Compound name
2-[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 138.2
[M+Na]+ 190.058688 146.2
[M-H]- 166.062194 139.6
[M+NH4]+ 185.103293 155.9
[M+K]+ 206.032628 140.5
[M+H-H2O]+ 150.066730 129.2
[M+HCOO]- 212.067671 157.4
[M+CH3COO]- 226.083321 184.1
[M+Na-2H]- 188.044136 143.0
[M]+ 167.06892142 129.2
[M]- 167.07001858 129.2
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

No patent data available for this compound.