CID 87847

4-methoxybenzyl carbazate

Structural Information

Molecular Formula
C9H12N2O3
SMILES
COC1=CC=C(C=C1)COC(=O)NN
InChI
InChI=1S/C9H12N2O3/c1-13-8-4-2-7(3-5-8)6-14-9(12)11-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
JKBMMHKEAGEILO-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl N-aminocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

196.0848 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 141.6
[M+Na]+ 219.07402 151.4
[M+NH4]+ 214.11862 148.5
[M+K]+ 235.04796 146.8
[M-H]- 195.07752 143.3
[M+Na-2H]- 217.05947 147.1
[M]+ 196.08425 143.1
[M]- 196.08535 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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