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

73
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 132.2
[M+Na]+ 186.08894 138.7
[M-H]- 162.09244 139.4
[M+NH4]+ 181.13354 146.7
[M+K]+ 202.06288 140.9
[M+H-H2O]+ 146.09698 121.7
[M+HCOO]- 208.09792 154.4
[M+CH3COO]- 222.11357 182.6
[M+Na-2H]- 184.07439 140.1
[M]+ 163.09917 139.3
[M]- 163.10027 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