CID 499793

2-pyrrolidin-1-ylethyl n-(4-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C14H20N2O3
SMILES
COC1=CC=C(C=C1)NC(=O)OCCN2CCCC2
InChI
InChI=1S/C14H20N2O3/c1-18-13-6-4-12(5-7-13)15-14(17)19-11-10-16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3,(H,15,17)
InChIKey
FKTFIQKXZCEHLX-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

264.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.15468 161.1
[M+Na]+ 287.13662 165.4
[M-H]- 263.14012 165.7
[M+NH4]+ 282.18122 177.4
[M+K]+ 303.11056 163.6
[M+H-H2O]+ 247.14466 152.7
[M+HCOO]- 309.14560 183.0
[M+CH3COO]- 323.16125 196.1
[M+Na-2H]- 285.12207 163.3
[M]+ 264.14685 161.1
[M]- 264.14795 161.1
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.