CID 3062659

98612-64-7

Structural Information

Molecular Formula
C12H21N2O
SMILES
C[C@@H]1CCC(=O)N1CC#CC[N+](C)(C)C
InChI
InChI=1S/C12H21N2O/c1-11-7-8-12(15)13(11)9-5-6-10-14(2,3)4/h11H,7-10H2,1-4H3/q+1/t11-/m1/s1
InChIKey
CRWZEBOCBDVIPE-LLVKDONJSA-N
Compound name
trimethyl-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]but-2-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

209.16539 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.17267 149.7
[M+Na]+ 232.15461 158.3
[M-H]- 208.15811 151.6
[M+NH4]+ 227.19921 167.5
[M+K]+ 248.12855 150.6
[M+H-H2O]+ 192.16265 139.9
[M+HCOO]- 254.16359 165.1
[M+CH3COO]- 268.17924 193.0
[M+Na-2H]- 230.14006 153.8
[M]+ 209.16484 143.2
[M]- 209.16594 143.2
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.