CID 34245

Carbamic acid, n,n-dipentyl-, 3-tert-butylphenyl ester

Structural Information

Molecular Formula
C21H35NO2
SMILES
CCCCCN(CCCCC)C(=O)OC1=CC=CC(=C1)C(C)(C)C
InChI
InChI=1S/C21H35NO2/c1-6-8-10-15-22(16-11-9-7-2)20(23)24-19-14-12-13-18(17-19)21(3,4)5/h12-14,17H,6-11,15-16H2,1-5H3
InChIKey
JPCXGUJJYTYJGI-UHFFFAOYSA-N
Compound name
(3-tert-butylphenyl) N,N-dipentylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.26678 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.27406 188.7
[M+Na]+ 356.25600 191.8
[M-H]- 332.25950 192.3
[M+NH4]+ 351.30060 203.3
[M+K]+ 372.22994 189.8
[M+H-H2O]+ 316.26404 181.0
[M+HCOO]- 378.26498 208.9
[M+CH3COO]- 392.28063 219.2
[M+Na-2H]- 354.24145 188.8
[M]+ 333.26623 194.7
[M]- 333.26733 194.7
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.