CID 210111

20984-63-8

Structural Information

Molecular Formula
C12H17N3O
SMILES
CN(C1CCN(C1)C(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c1-14(10-5-3-2-4-6-10)11-7-8-15(9-11)12(13)16/h2-6,11H,7-9H2,1H3,(H2,13,16)
InChIKey
SUQQLZPSVUGFFH-UHFFFAOYSA-N
Compound name
3-(N-methylanilino)pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 150.1
[M+Na]+ 242.12638 154.8
[M-H]- 218.12988 156.0
[M+NH4]+ 237.17098 168.4
[M+K]+ 258.10032 153.3
[M+H-H2O]+ 202.13442 141.9
[M+HCOO]- 264.13536 173.2
[M+CH3COO]- 278.15101 194.3
[M+Na-2H]- 240.11183 152.0
[M]+ 219.13661 146.2
[M]- 219.13771 146.2
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

patents stripe