CID 29811

Brn 2980180

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1=C(C=CC(=C1)OC(=O)NCO)N(C)C
InChI
InChI=1S/C11H16N2O3/c1-8-6-9(16-11(15)12-7-14)4-5-10(8)13(2)3/h4-6,14H,7H2,1-3H3,(H,12,15)
InChIKey
YUXRBKSNBMBDMP-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)-3-methylphenyl] N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 149.9
[M+Na]+ 247.10531 156.3
[M-H]- 223.10881 153.9
[M+NH4]+ 242.14991 167.9
[M+K]+ 263.07925 156.0
[M+H-H2O]+ 207.11335 143.2
[M+HCOO]- 269.11429 174.7
[M+CH3COO]- 283.12994 195.3
[M+Na-2H]- 245.09076 153.7
[M]+ 224.11554 152.0
[M]- 224.11664 152.0
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

No patent data available for this compound.