CID 99755

1-methyl-n-(4-nitrophenyl)pyrrolidin-2-imine

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CN1CCCC1=NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O2/c1-13-8-2-3-11(13)12-9-4-6-10(7-5-9)14(15)16/h4-7H,2-3,8H2,1H3
InChIKey
DRMVHXFUXPZWOI-UHFFFAOYSA-N
Compound name
1-methyl-N-(4-nitrophenyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.3
[M+Na]+ 242.08999 153.2
[M-H]- 218.09349 154.0
[M+NH4]+ 237.13459 165.5
[M+K]+ 258.06393 147.1
[M+H-H2O]+ 202.09803 144.0
[M+HCOO]- 264.09897 173.1
[M+CH3COO]- 278.11462 185.7
[M+Na-2H]- 240.07544 153.4
[M]+ 219.10022 143.6
[M]- 219.10132 143.6
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