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

245
Patents

165.11537 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 136.1
[M+Na]+ 188.104588 142.2
[M-H]- 164.108094 138.8
[M+NH4]+ 183.149193 156.1
[M+K]+ 204.078528 140.1
[M+H-H2O]+ 148.112630 129.8
[M+HCOO]- 210.113571 161.0
[M+CH3COO]- 224.129221 180.5
[M+Na-2H]- 186.090036 143.0
[M]+ 165.11482142 136.0
[M]- 165.11591858 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