CID 59485307

1134541-61-9

Structural Information

Molecular Formula
C9H13FN2
SMILES
CN(C)CC1=C(C=C(C=C1)N)F
InChI
InChI=1S/C9H13FN2/c1-12(2)6-7-3-4-8(11)5-9(7)10/h3-5H,6,11H2,1-2H3
InChIKey
NREHYFFERQGKGJ-UHFFFAOYSA-N
Compound name
4-[(dimethylamino)methyl]-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

168.10628 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.11356 134.8
[M+Na]+ 191.09550 142.6
[M-H]- 167.09900 138.5
[M+NH4]+ 186.14010 155.6
[M+K]+ 207.06944 141.2
[M+H-H2O]+ 151.10354 127.7
[M+HCOO]- 213.10448 160.2
[M+CH3COO]- 227.12013 188.8
[M+Na-2H]- 189.08095 139.7
[M]+ 168.10573 133.0
[M]- 168.10683 133.0
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