CID 21197440

343247-59-6

Structural Information

Molecular Formula
C11H16N2O
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)N
InChI
InChI=1S/C11H16N2O/c1-11(2,3)8-4-6-9(7-5-8)13-10(12)14/h4-7H,1-3H3,(H3,12,13,14)
InChIKey
APUKPRMBZKSZMB-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

192.12627 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 144.1
[M+Na]+ 215.115488 150.5
[M-H]- 191.118994 147.5
[M+NH4]+ 210.160093 163.1
[M+K]+ 231.089428 148.5
[M+H-H2O]+ 175.123530 138.3
[M+HCOO]- 237.124471 167.3
[M+CH3COO]- 251.140121 188.6
[M+Na-2H]- 213.100936 149.4
[M]+ 192.12572142 142.0
[M]- 192.12681858 142.0
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