CID 36030

31991-03-4

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)OC2CCN(C2)C(C)(C)C
InChI
InChI=1S/C17H26N2O2/c1-12-7-6-8-13(2)15(12)18-16(20)21-14-9-10-19(11-14)17(3,4)5/h6-8,14H,9-11H2,1-5H3,(H,18,20)
InChIKey
RXIJQDJLADWKDB-UHFFFAOYSA-N
Compound name
(1-tert-butylpyrrolidin-3-yl) N-(2,6-dimethylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.9
[M+Na]+ 313.18865 177.5
[M-H]- 289.19215 177.2
[M+NH4]+ 308.23325 188.1
[M+K]+ 329.16259 174.9
[M+H-H2O]+ 273.19669 164.6
[M+HCOO]- 335.19763 191.0
[M+CH3COO]- 349.21328 205.1
[M+Na-2H]- 311.17410 172.1
[M]+ 290.19888 171.8
[M]- 290.19998 171.8
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.