CID 59410079

4-(3-methyloxetan-3-yl)aniline

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1(COC1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H13NO/c1-10(6-12-7-10)8-2-4-9(11)5-3-8/h2-5H,6-7,11H2,1H3
InChIKey
VLCQTNSZCIBOTL-UHFFFAOYSA-N
Compound name
4-(3-methyloxetan-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 132.2
[M+Na]+ 186.088938 138.7
[M-H]- 162.092444 139.4
[M+NH4]+ 181.133543 146.7
[M+K]+ 202.062878 140.9
[M+H-H2O]+ 146.096980 121.7
[M+HCOO]- 208.097921 154.4
[M+CH3COO]- 222.113571 182.6
[M+Na-2H]- 184.074386 140.1
[M]+ 163.09917142 139.3
[M]- 163.10026858 139.3
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

patents stripe