CID 17564

Butacarb

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)(C)C1=CC(=CC(=C1)OC(=O)NC)C(C)(C)C
InChI
InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)
InChIKey
SLZWBCGZQRRUNG-UHFFFAOYSA-N
Compound name
(3,5-ditert-butylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

2
References

8456
Patents

263.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 163.9
[M+Na]+ 286.17776 170.5
[M-H]- 262.18126 167.8
[M+NH4]+ 281.22236 181.3
[M+K]+ 302.15170 169.0
[M+H-H2O]+ 246.18580 158.4
[M+HCOO]- 308.18674 183.8
[M+CH3COO]- 322.20239 201.8
[M+Na-2H]- 284.16321 167.9
[M]+ 263.18799 166.7
[M]- 263.18909 166.7
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