CID 62789655

Cyclopropyl(4-fluoro-3-methylphenyl)methanamine

Structural Information

Molecular Formula
C11H14FN
SMILES
CC1=C(C=CC(=C1)C(C2CC2)N)F
InChI
InChI=1S/C11H14FN/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8,11H,2-3,13H2,1H3
InChIKey
QFYKJOSJBBLCAH-UHFFFAOYSA-N
Compound name
cyclopropyl-(4-fluoro-3-methylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

179.11102 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11830 132.5
[M+Na]+ 202.10024 141.7
[M-H]- 178.10374 138.7
[M+NH4]+ 197.14484 147.6
[M+K]+ 218.07418 138.1
[M+H-H2O]+ 162.10828 125.3
[M+HCOO]- 224.10922 155.5
[M+CH3COO]- 238.12487 188.9
[M+Na-2H]- 200.08569 136.8
[M]+ 179.11047 131.7
[M]- 179.11157 131.7
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

patents stripe