CID 90676

24973-59-9

Structural Information

Molecular Formula
C18H29NO
SMILES
CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)N=O)C(C)(C)C
InChI
InChI=1S/C18H29NO/c1-16(2,3)12-10-13(17(4,5)6)15(19-20)14(11-12)18(7,8)9/h10-11H,1-9H3
InChIKey
OSICDPWAPKXXHT-UHFFFAOYSA-N
Compound name
1,3,5-tritert-butyl-2-nitrosobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

236
Patents

275.2249 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.232176 166.3
[M+Na]+ 298.214118 174.1
[M-H]- 274.217624 172.0
[M+NH4]+ 293.258723 184.4
[M+K]+ 314.188058 172.6
[M+H-H2O]+ 258.222160 161.2
[M+HCOO]- 320.223101 186.2
[M+CH3COO]- 334.238751 210.1
[M+Na-2H]- 296.199566 171.5
[M]+ 275.22435142 170.9
[M]- 275.22544858 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe