CID 4417376

60509-35-5

Structural Information

Molecular Formula
C11H16FN
SMILES
CCCCNCC1=CC=C(C=C1)F
InChI
InChI=1S/C11H16FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3
InChIKey
SZEFNSDEEORQSF-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.12668 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.133956 139.4
[M+Na]+ 204.115898 146.0
[M-H]- 180.119404 141.4
[M+NH4]+ 199.160503 159.3
[M+K]+ 220.089838 143.2
[M+H-H2O]+ 164.123940 132.3
[M+HCOO]- 226.124881 163.2
[M+CH3COO]- 240.140531 186.1
[M+Na-2H]- 202.101346 145.5
[M]+ 181.12613142 138.5
[M]- 181.12722858 138.5
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

No patent data available for this compound.