CID 2247080

1-cyanomethyl-2-nitromethylenepyrrolidine

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-VOTSOKGWSA-N
Compound name
2-[(2E)-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]+ 168.07675 138.2
[M+Na]+ 190.05869 146.2
[M-H]- 166.06219 139.6
[M+NH4]+ 185.10329 155.9
[M+K]+ 206.03263 140.5
[M+H-H2O]+ 150.06673 129.2
[M+HCOO]- 212.06767 157.4
[M+CH3COO]- 226.08332 184.1
[M+Na-2H]- 188.04414 143.0
[M]+ 167.06892 129.2
[M]- 167.07002 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

literature stripe

Patent stripe

No patent data available for this compound.