CID 99754

1-methyl-n-phenylpyrrolidin-2-imine

Structural Information

Molecular Formula
C11H14N2
SMILES
CN1CCCC1=NC2=CC=CC=C2
InChI
InChI=1S/C11H14N2/c1-13-9-5-8-11(13)12-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey
CEJCBMLKKRWTMX-UHFFFAOYSA-N
Compound name
1-methyl-N-phenylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

32
Patents

174.11569 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 137.6
[M+Na]+ 197.104908 144.2
[M-H]- 173.108414 144.0
[M+NH4]+ 192.149513 158.5
[M+K]+ 213.078848 141.9
[M+H-H2O]+ 157.112950 129.8
[M+HCOO]- 219.113891 162.4
[M+CH3COO]- 233.129541 183.3
[M+Na-2H]- 195.090356 142.9
[M]+ 174.11514142 134.8
[M]- 174.11623858 134.8
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