CID 3746538

[(4-fluorophenyl)methyl](propan-2-yl)amine

Structural Information

Molecular Formula
C10H14FN
SMILES
CC(C)NCC1=CC=C(C=C1)F
InChI
InChI=1S/C10H14FN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
InChIKey
IDZSJVHMHRLKIU-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

167.11102 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11830 135.3
[M+Na]+ 190.10024 142.2
[M-H]- 166.10374 137.7
[M+NH4]+ 185.14484 155.8
[M+K]+ 206.07418 140.0
[M+H-H2O]+ 150.10828 128.6
[M+HCOO]- 212.10922 158.5
[M+CH3COO]- 226.12487 183.9
[M+Na-2H]- 188.08569 140.8
[M]+ 167.11047 133.4
[M]- 167.11157 133.4
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