CID 14977997

N-phenyloxolan-3-amine

Structural Information

Molecular Formula
C10H13NO
SMILES
C1COCC1NC2=CC=CC=C2
InChI
InChI=1S/C10H13NO/c1-2-4-9(5-3-1)11-10-6-7-12-8-10/h1-5,10-11H,6-8H2
InChIKey
IAHIMTVWPDQJOM-UHFFFAOYSA-N
Compound name
N-phenyloxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

163.09972 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.2
[M+Na]+ 186.08894 138.6
[M-H]- 162.09244 140.0
[M+NH4]+ 181.13354 153.6
[M+K]+ 202.06288 137.7
[M+H-H2O]+ 146.09698 126.8
[M+HCOO]- 208.09792 157.2
[M+CH3COO]- 222.11357 177.4
[M+Na-2H]- 184.07439 140.2
[M]+ 163.09917 130.1
[M]- 163.10027 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