CID 5744814

Methyl n-[(4-aminophenyl)methyl]carbamate

Structural Information

Molecular Formula
C9H12N2O2
SMILES
COC(=O)NCC1=CC=C(C=C1)N
InChI
InChI=1S/C9H12N2O2/c1-13-9(12)11-6-7-2-4-8(10)5-3-7/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey
MFQVSXFZFMRDFR-UHFFFAOYSA-N
Compound name
methyl N-[(4-aminophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

180.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 138.0
[M+Na]+ 203.07909 144.7
[M-H]- 179.08259 141.4
[M+NH4]+ 198.12369 157.3
[M+K]+ 219.05303 143.3
[M+H-H2O]+ 163.08713 131.6
[M+HCOO]- 225.08807 163.7
[M+CH3COO]- 239.10372 184.3
[M+Na-2H]- 201.06454 143.7
[M]+ 180.08932 137.1
[M]- 180.09042 137.1
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

patents stripe