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]+ 239.10263 151.6
[M+Na]+ 261.08457 158.7
[M-H]- 237.08807 154.7
[M+NH4]+ 256.12917 168.5
[M+K]+ 277.05851 157.6
[M+H-H2O]+ 221.09261 145.2
[M+HCOO]- 283.09355 175.3
[M+CH3COO]- 297.10920 194.9
[M+Na-2H]- 259.07002 154.3
[M]+ 238.09480 152.8
[M]- 238.09590 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.