CID 6147867

(2z)-2-(nitromethylidene)pyrrolidine

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1C/C(=C/[N+](=O)[O-])/NC1
InChI
InChI=1S/C5H8N2O2/c8-7(9)4-5-2-1-3-6-5/h4,6H,1-3H2/b5-4-
InChIKey
LKMGDZMCCPSUFI-PLNGDYQASA-N
Compound name
(2Z)-2-(nitromethylidene)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

128.05858 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.065856 125.5
[M+Na]+ 151.047798 131.3
[M-H]- 127.051304 126.0
[M+NH4]+ 146.092403 146.2
[M+K]+ 167.021738 125.8
[M+H-H2O]+ 111.055840 124.4
[M+HCOO]- 173.056781 147.8
[M+CH3COO]- 187.072431 159.4
[M+Na-2H]- 149.033246 132.1
[M]+ 128.05803142 118.4
[M]- 128.05912858 118.4
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

patents stripe