CID 499837

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

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCCCCCCOC1=CC=C(C=C1)NC(=O)OCCN2CCCC2
InChI
InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-10-18-26-21-13-11-20(12-14-21)23-22(25)27-19-17-24-15-8-9-16-24/h11-14H,2-10,15-19H2,1H3,(H,23,25)
InChIKey
LQBUCDKDPUGYLJ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(4-nonoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

376.27258 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.27986 196.8
[M+Na]+ 399.26180 197.4
[M-H]- 375.26530 199.7
[M+NH4]+ 394.30640 208.3
[M+K]+ 415.23574 193.7
[M+H-H2O]+ 359.26984 186.7
[M+HCOO]- 421.27078 215.8
[M+CH3COO]- 435.28643 219.8
[M+Na-2H]- 397.24725 194.7
[M]+ 376.27203 199.4
[M]- 376.27313 199.4
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.