CID 44611

Union carbide uc-30044

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CC(=CC(=C1NC(=O)O)C)OC(=O)NC
InChI
InChI=1S/C11H14N2O4/c1-6-4-8(17-11(16)12-3)5-7(2)9(6)13-10(14)15/h4-5,13H,1-3H3,(H,12,16)(H,14,15)
InChIKey
XPWYTOCLVUTBNX-UHFFFAOYSA-N
Compound name
[2,6-dimethyl-4-(methylcarbamoyloxy)phenyl]carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 151.6
[M+Na]+ 261.084568 158.7
[M-H]- 237.088074 154.7
[M+NH4]+ 256.129173 168.5
[M+K]+ 277.058508 157.6
[M+H-H2O]+ 221.092610 145.2
[M+HCOO]- 283.093551 175.3
[M+CH3COO]- 297.109201 194.9
[M+Na-2H]- 259.070016 154.3
[M]+ 238.09480142 152.8
[M]- 238.09589858 152.8
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

No patent data available for this compound.