CID 34246

R 948

Structural Information

Molecular Formula
C23H39NO2
SMILES
CCCCCCN(CCCCCC)C(=O)OC1=CC=CC(=C1)C(C)(C)C
InChI
InChI=1S/C23H39NO2/c1-6-8-10-12-17-24(18-13-11-9-7-2)22(25)26-21-16-14-15-20(19-21)23(3,4)5/h14-16,19H,6-13,17-18H2,1-5H3
InChIKey
DQNZWMRPRVZFCM-UHFFFAOYSA-N
Compound name
(3-tert-butylphenyl) N,N-dihexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.29807 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.30535 196.1
[M+Na]+ 384.28729 205.0
[M+NH4]+ 379.33189 202.0
[M+K]+ 400.26123 197.7
[M-H]- 360.29079 197.5
[M+Na-2H]- 382.27274 199.5
[M]+ 361.29752 197.7
[M]- 361.29862 197.7
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.