CID 24689379

1-(3-aminocyclohexyl)pyrrolidin-2-one

Structural Information

Molecular Formula
C10H18N2O
SMILES
C1CC(CC(C1)N2CCCC2=O)N
InChI
InChI=1S/C10H18N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h8-9H,1-7,11H2
InChIKey
GSLLESQEEKEBHP-UHFFFAOYSA-N
Compound name
1-(3-aminocyclohexyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

182.1419 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.149176 142.5
[M+Na]+ 205.131118 146.8
[M-H]- 181.134624 146.3
[M+NH4]+ 200.175723 162.0
[M+K]+ 221.105058 144.5
[M+H-H2O]+ 165.139160 135.3
[M+HCOO]- 227.140101 161.2
[M+CH3COO]- 241.155751 182.0
[M+Na-2H]- 203.116566 143.0
[M]+ 182.14135142 134.0
[M]- 182.14244858 134.0
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