CID 44827665

4-(aminomethyl)-1-(propan-2-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)N1CC(CC1=O)CN
InChI
InChI=1S/C8H16N2O/c1-6(2)10-5-7(4-9)3-8(10)11/h6-7H,3-5,9H2,1-2H3
InChIKey
VLIAZARVPPDEJV-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-1-propan-2-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

156.12627 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.133546 136.0
[M+Na]+ 179.115488 142.6
[M-H]- 155.118994 137.6
[M+NH4]+ 174.160093 157.1
[M+K]+ 195.089428 141.5
[M+H-H2O]+ 139.123530 129.9
[M+HCOO]- 201.124471 157.1
[M+CH3COO]- 215.140121 180.2
[M+Na-2H]- 177.100936 137.0
[M]+ 156.12572142 132.8
[M]- 156.12681858 132.8
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