CID 25069

4-(methylformamido)-3,5-xylyl methylcarbamate

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1=CC(=CC(=C1N(C)C=O)C)OC(=O)NC
InChI
InChI=1S/C12H16N2O3/c1-8-5-10(17-12(16)13-3)6-9(2)11(8)14(4)7-15/h5-7H,1-4H3,(H,13,16)
InChIKey
YZLKSROUDATCQE-UHFFFAOYSA-N
Compound name
[4-[formyl(methyl)amino]-3,5-dimethylphenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 152.1
[M+Na]+ 259.10531 159.8
[M-H]- 235.10881 157.8
[M+NH4]+ 254.14991 170.6
[M+K]+ 275.07925 159.5
[M+H-H2O]+ 219.11335 145.3
[M+HCOO]- 281.11429 178.3
[M+CH3COO]- 295.12994 201.2
[M+Na-2H]- 257.09076 155.3
[M]+ 236.11554 156.2
[M]- 236.11664 156.2
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.