CID 116240

4-phenoxybutan-1-amine

Structural Information

Molecular Formula
C10H15NO
SMILES
C1=CC=C(C=C1)OCCCCN
InChI
InChI=1S/C10H15NO/c11-8-4-5-9-12-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKey
XUOBVRURUPUPHB-UHFFFAOYSA-N
Compound name
4-phenoxybutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

230
Patents

165.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.1
[M+Na]+ 188.10459 142.2
[M-H]- 164.10809 138.8
[M+NH4]+ 183.14919 156.1
[M+K]+ 204.07853 140.1
[M+H-H2O]+ 148.11263 129.8
[M+HCOO]- 210.11357 161.0
[M+CH3COO]- 224.12922 180.5
[M+Na-2H]- 186.09004 143.0
[M]+ 165.11482 136.0
[M]- 165.11592 136.0
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