CID 10535559

N-[3-(methylamino)propyl]oxolane-2-carboxamide

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CNCCCNC(=O)C1CCCO1
InChI
InChI=1S/C9H18N2O2/c1-10-5-3-6-11-9(12)8-4-2-7-13-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKey
AUXJTEANWWFSRR-UHFFFAOYSA-N
Compound name
N-[3-(methylamino)propyl]oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

186.13683 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.1
[M+Na]+ 209.126048 147.4
[M-H]- 185.129554 147.2
[M+NH4]+ 204.170653 163.2
[M+K]+ 225.099988 147.7
[M+H-H2O]+ 169.134090 137.5
[M+HCOO]- 231.135031 167.0
[M+CH3COO]- 245.150681 185.3
[M+Na-2H]- 207.111496 148.3
[M]+ 186.13628142 142.1
[M]- 186.13737858 142.1
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