CID 82015885

Tert-butyl n-[2-(aminomethyl)-4-fluorophenyl]carbamate

Structural Information

Molecular Formula
C12H17FN2O2
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)F)CN
InChI
InChI=1S/C12H17FN2O2/c1-12(2,3)17-11(16)15-10-5-4-9(13)6-8(10)7-14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKey
GCDZIRGTBWEMCM-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(aminomethyl)-4-fluorophenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

240.12741 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.134686 154.5
[M+Na]+ 263.116628 161.4
[M-H]- 239.120134 156.7
[M+NH4]+ 258.161233 171.8
[M+K]+ 279.090568 159.4
[M+H-H2O]+ 223.124670 147.5
[M+HCOO]- 285.125611 176.5
[M+CH3COO]- 299.141261 197.1
[M+Na-2H]- 261.102076 158.1
[M]+ 240.12686142 153.3
[M]- 240.12795858 153.3
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