CID 137332182

Ahdp

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1(C(NC(=O)C1N)CC2=CC=C(C=C2)O)C
InChI
InChI=1S/C13H18N2O2/c1-13(2)10(15-12(17)11(13)14)7-8-3-5-9(16)6-4-8/h3-6,10-11,16H,7,14H2,1-2H3,(H,15,17)
InChIKey
MCRWIHVHOLDIFL-UHFFFAOYSA-N
Compound name
3-amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 153.2
[M+Na]+ 257.12605 161.3
[M-H]- 233.12955 156.1
[M+NH4]+ 252.17065 172.1
[M+K]+ 273.09999 156.6
[M+H-H2O]+ 217.13409 147.4
[M+HCOO]- 279.13503 172.5
[M+CH3COO]- 293.15068 189.1
[M+Na-2H]- 255.11150 154.4
[M]+ 234.13628 149.1
[M]- 234.13738 149.1
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

No patent data available for this compound.