CID 115269124

2260932-70-3

Structural Information

Molecular Formula
C12H17N3O
SMILES
CC1(CC(CN1C(=O)C2=CN=CC=C2)N)C
InChI
InChI=1S/C12H17N3O/c1-12(2)6-10(13)8-15(12)11(16)9-4-3-5-14-7-9/h3-5,7,10H,6,8,13H2,1-2H3
InChIKey
VXYUJNPICIDMRO-UHFFFAOYSA-N
Compound name
(4-amino-2,2-dimethylpyrrolidin-1-yl)-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.13716 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 149.9
[M+Na]+ 242.12638 157.3
[M-H]- 218.12988 153.8
[M+NH4]+ 237.17098 169.0
[M+K]+ 258.10032 154.6
[M+H-H2O]+ 202.13442 142.4
[M+HCOO]- 264.13536 170.2
[M+CH3COO]- 278.15101 189.3
[M+Na-2H]- 240.11183 152.5
[M]+ 219.13661 146.7
[M]- 219.13771 146.7
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

No patent data available for this compound.