CID 9793926

Methacetin-methoxy-13c

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(=O)NC1=CC=C(C=C1)O[13CH3]
InChI
InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)/i2+1
InChIKey
XVAIDCNLVLTVFM-VQEHIDDOSA-N
Compound name
N-(4-(113C)methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

128
References

1699
Patents

166.08234 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08962 133.4
[M+Na]+ 189.07156 141.0
[M-H]- 165.07506 137.5
[M+NH4]+ 184.11616 154.0
[M+K]+ 205.04550 140.0
[M+H-H2O]+ 149.07960 127.6
[M+HCOO]- 211.08054 158.8
[M+CH3COO]- 225.09619 180.6
[M+Na-2H]- 187.05701 140.0
[M]+ 166.08179 134.5
[M]- 166.08289 134.5
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