CID 25073

Brn 2740010

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=C(C=CC(=C1)OC(=O)NC)N(C)C=O
InChI
InChI=1S/C11H14N2O3/c1-8-6-9(16-11(15)12-2)4-5-10(8)13(3)7-14/h4-7H,1-3H3,(H,12,15)
InChIKey
MPQHMJZTYSTFTQ-UHFFFAOYSA-N
Compound name
[4-[formyl(methyl)amino]-3-methylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.10045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 148.0
[M+Na]+ 245.08967 155.1
[M-H]- 221.09317 153.5
[M+NH4]+ 240.13427 166.7
[M+K]+ 261.06361 155.0
[M+H-H2O]+ 205.09771 141.1
[M+HCOO]- 267.09865 174.5
[M+CH3COO]- 281.11430 196.9
[M+Na-2H]- 243.07512 152.4
[M]+ 222.09990 151.3
[M]- 222.10100 151.3
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.