CID 21199130

1-(6-aminohexyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C10H20N2O
SMILES
C1CC(=O)N(C1)CCCCCCN
InChI
InChI=1S/C10H20N2O/c11-7-3-1-2-4-8-12-9-5-6-10(12)13/h1-9,11H2
InChIKey
ARKHFOXARSJRGJ-UHFFFAOYSA-N
Compound name
1-(6-aminohexyl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

184.15756 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.16484 144.6
[M+Na]+ 207.14678 149.7
[M-H]- 183.15028 145.3
[M+NH4]+ 202.19138 164.3
[M+K]+ 223.12072 147.6
[M+H-H2O]+ 167.15482 137.7
[M+HCOO]- 229.15576 166.1
[M+CH3COO]- 243.17141 184.2
[M+Na-2H]- 205.13223 146.5
[M]+ 184.15701 142.5
[M]- 184.15811 142.5
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

patents stripe