CID 54482

Amk 213

Structural Information

Molecular Formula
C15H22N2O3
SMILES
COCC1=CC=CC=C1NC(=O)OCCN2CCCC2
InChI
InChI=1S/C15H22N2O3/c1-19-12-13-6-2-3-7-14(13)16-15(18)20-11-10-17-8-4-5-9-17/h2-3,6-7H,4-5,8-12H2,1H3,(H,16,18)
InChIKey
UGIUHKOAQQWSFV-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-[2-(methoxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.170336 165.7
[M+Na]+ 301.152278 169.5
[M-H]- 277.155784 170.0
[M+NH4]+ 296.196883 181.4
[M+K]+ 317.126218 167.4
[M+H-H2O]+ 261.160320 157.0
[M+HCOO]- 323.161261 187.2
[M+CH3COO]- 337.176911 199.1
[M+Na-2H]- 299.137726 167.3
[M]+ 278.16251142 165.9
[M]- 278.16360858 165.9
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.