CID 66521186

4-(oxolan-3-yl)aniline

Structural Information

Molecular Formula
C10H13NO
SMILES
C1COCC1C2=CC=C(C=C2)N
InChI
InChI=1S/C10H13NO/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-4,9H,5-7,11H2
InChIKey
RJTIOFHVFUMIAD-UHFFFAOYSA-N
Compound name
4-(oxolan-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 133.7
[M+Na]+ 186.088938 140.1
[M-H]- 162.092444 140.5
[M+NH4]+ 181.133543 154.2
[M+K]+ 202.062878 138.8
[M+H-H2O]+ 146.096980 127.6
[M+HCOO]- 208.097921 157.1
[M+CH3COO]- 222.113571 177.8
[M+Na-2H]- 184.074386 139.1
[M]+ 163.09917142 130.1
[M]- 163.10026858 130.1
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