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]+ 277.191056 167.6
[M+Na]+ 299.172998 172.2
[M-H]- 275.176504 172.3
[M+NH4]+ 294.217603 183.8
[M+K]+ 315.146938 169.2
[M+H-H2O]+ 259.181040 159.3
[M+HCOO]- 321.181981 188.6
[M+CH3COO]- 335.197631 201.1
[M+Na-2H]- 297.158446 167.9
[M]+ 276.18323142 167.2
[M]- 276.18432858 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.