CID 3086904

112483-24-6

Structural Information

Molecular Formula
C13H23N2O
SMILES
CC[N+](C)(C)CC#CCN1C(CCC1=O)C
InChI
InChI=1S/C13H23N2O/c1-5-15(3,4)11-7-6-10-14-12(2)8-9-13(14)16/h12H,5,8-11H2,1-4H3/q+1
InChIKey
NNSCGZRCMFGKNM-UHFFFAOYSA-N
Compound name
ethyl-dimethyl-[4-(2-methyl-5-oxopyrrolidin-1-yl)but-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.18105 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.18833 153.7
[M+Na]+ 246.17027 162.0
[M-H]- 222.17377 155.5
[M+NH4]+ 241.21487 171.1
[M+K]+ 262.14421 154.0
[M+H-H2O]+ 206.17831 143.8
[M+HCOO]- 268.17925 168.9
[M+CH3COO]- 282.19490 195.7
[M+Na-2H]- 244.15572 157.4
[M]+ 223.18050 147.5
[M]- 223.18160 147.5
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.