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 197.9
[M+Na]+ 384.28729 200.2
[M-H]- 360.29079 201.1
[M+NH4]+ 379.33189 211.4
[M+K]+ 400.26123 197.7
[M+H-H2O]+ 344.29533 189.8
[M+HCOO]- 406.29627 217.4
[M+CH3COO]- 420.31192 225.1
[M+Na-2H]- 382.27274 197.0
[M]+ 361.29752 204.7
[M]- 361.29862 204.7
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.