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

1
Annotation Hits: 1
References: 278
Patents: 275.2249 Da
Monoisotopic Mass: 6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.23218	166.3
[M+Na]+	298.21412	174.1
[M-H]-	274.21762	172.0
[M+NH4]+	293.25872	184.4
[M+K]+	314.18806	172.6
[M+H-H2O]+	258.22216	161.2
[M+HCOO]-	320.22310	186.2
[M+CH3COO]-	334.23875	210.1
[M+Na-2H]-	296.19957	171.5
[M]+	275.22435	170.9
[M]-	275.22545	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe