CID 18322329

4-(benzyloxy)butan-1-amine

Structural Information

Molecular Formula
C11H17NO
SMILES
C1=CC=C(C=C1)COCCCCN
InChI
InChI=1S/C11H17NO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,12H2
InChIKey
TZHOKOVQYMRTEI-UHFFFAOYSA-N
Compound name
4-phenylmethoxybutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

179.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.7
[M+Na]+ 202.12023 146.4
[M-H]- 178.12373 143.2
[M+NH4]+ 197.16483 160.2
[M+K]+ 218.09417 144.0
[M+H-H2O]+ 162.12827 134.2
[M+HCOO]- 224.12921 165.2
[M+CH3COO]- 238.14486 183.6
[M+Na-2H]- 200.10568 147.1
[M]+ 179.13046 141.0
[M]- 179.13156 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe