CID 4686395

284462-77-7

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC)N=C=O
InChI
InChI=1S/C12H15NO2/c1-12(2,3)9-5-6-11(15-4)10(7-9)13-8-14/h5-7H,1-4H3
InChIKey
WBSNUSBTYTUZJW-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-isocyanato-1-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

205.11028 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 144.3
[M+Na]+ 228.099498 153.0
[M-H]- 204.103004 149.9
[M+NH4]+ 223.144103 164.5
[M+K]+ 244.073438 151.6
[M+H-H2O]+ 188.107540 138.5
[M+HCOO]- 250.108481 169.8
[M+CH3COO]- 264.124131 191.4
[M+Na-2H]- 226.084946 151.1
[M]+ 205.10973142 148.1
[M]- 205.11082858 148.1
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

patents stripe