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]+ 182.13396 139.4
[M+Na]+ 204.11590 146.0
[M-H]- 180.11940 141.4
[M+NH4]+ 199.16050 159.3
[M+K]+ 220.08984 143.2
[M+H-H2O]+ 164.12394 132.3
[M+HCOO]- 226.12488 163.2
[M+CH3COO]- 240.14053 186.1
[M+Na-2H]- 202.10135 145.5
[M]+ 181.12613 138.5
[M]- 181.12723 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.