CID 28430451

1019538-79-4

Structural Information

Molecular Formula
C11H14FN
SMILES
C1CC1CNCC2=CC=C(C=C2)F
InChI
InChI=1S/C11H14FN/c12-11-5-3-10(4-6-11)8-13-7-9-1-2-9/h3-6,9,13H,1-2,7-8H2
InChIKey
JMKBYKGNJPSQPJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-N-[(4-fluorophenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.11102 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11830 133.0
[M+Na]+ 202.10024 141.6
[M-H]- 178.10374 139.2
[M+NH4]+ 197.14484 148.1
[M+K]+ 218.07418 138.0
[M+H-H2O]+ 162.10828 125.3
[M+HCOO]- 224.10922 157.6
[M+CH3COO]- 238.12487 187.7
[M+Na-2H]- 200.08569 140.1
[M]+ 179.11047 133.4
[M]- 179.11157 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.