CID 58071

100836-75-7

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC1=C(C(=CC=C1)C)COC(=O)NCCN2CCCC2
InChI
InChI=1S/C16H24N2O2/c1-13-6-5-7-14(2)15(13)12-20-16(19)17-8-11-18-9-3-4-10-18/h5-7H,3-4,8-12H2,1-2H3,(H,17,19)
InChIKey
SMGHOKVGHLGOOB-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl)methyl N-(2-pyrrolidin-1-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.6
[M+Na]+ 299.17300 172.2
[M-H]- 275.17650 172.3
[M+NH4]+ 294.21760 183.8
[M+K]+ 315.14694 169.2
[M+H-H2O]+ 259.18104 159.3
[M+HCOO]- 321.18198 188.6
[M+CH3COO]- 335.19763 201.1
[M+Na-2H]- 297.15845 167.9
[M]+ 276.18323 167.2
[M]- 276.18433 167.2
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.